[(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine

C17H30N2 — CID 135280828

IUPAC[(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine
SMILESC/C=C\C=C/C/C=C(\C)C1[C@@H](CN)N1CC(C)(C)C
InChIInChI=1S/C17H30N2/c1-6-7-8-9-10-11-14(2)16-15(12-18)19(16)13-17(3,4)5/h6-9,11,15-16H,10,12-13,18H2,1-5H3/b7-6-,9-8-,14-11+/t15-,16?,19?/m1/s1
InChIKeyGAVCVEVVHSDGGM-ULCMQJKXSA-N
MW262.44 g/mol
LogP3.51
Rot. Bonds6

About [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine

[(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine (PubChem CID 135280828) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine
PubChem CID135280828
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name[(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine
SMILESC/C=C\C=C/C/C=C(\C)C1[C@@H](CN)N1CC(C)(C)C
InChIInChI=1S/C17H30N2/c1-6-7-8-9-10-11-14(2)16-15(12-18)19(16)13-17(3,4)5/h6-9,11,15-16H,10,12-13,18H2,1-5H3/b7-6-,9-8-,14-11+/t15-,16?,19?/m1/s1
InChIKeyGAVCVEVVHSDGGM-ULCMQJKXSA-N
XLogP3.51
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N',N'-dimethylethane-1,2-diamine
CID 144147416
(2S,6Z)-1-N-[(2E,4E)-hepta-2,4,6-trienyl]-2-N,7-dimethylnona-6,8-diene-1,2-diamine
CID 88264131
3-ethenyl-2-N,2-N-dipropylhepta-3,5-diene-1,2-diamine
CID 90864171
3-N-[(2E)-2,3-ditert-butylpenta-2,4-dienyl]-3-N,4-dimethylpent-4-ene-1,1,3-triamine
CID 129054006
1-(6-amino-4-methylcyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
CID 134534545
(2Z)-2-ethylidene-1-N-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-N-methylpentane-1,3-diamine
CID 139542394
(Z,2S)-1-N,2-N,2-N-trimethyl-4-[(Z)-prop-1-enyl]hex-4-ene-1,2,6-triamine
CID 141907216
ethane;6-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-2,3,4,7-tetrahydroazepin-4-amine
CID 141936869
(4Z,6Z)-4-ethenyl-1-N,1-N-dimethylocta-4,6-diene-1,2-diamine
CID 143494835
(7Z,9Z)-3-cyclohepta-1,3,6-trien-1-yl-11-ethyl-1,2-dimethyl-1,4-diazacycloundeca-7,9-diene
CID 146359435
(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine
CID 146522662
(Z,4Z)-4-ethylidene-2-N,2-N-dimethylhept-5-ene-1,2-diamine
CID 148171309

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine?
The IUPAC name of [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine (CID 135280828) is [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine is C/C=C\C=C/C/C=C(\C)C1[C@@H](CN)N1CC(C)(C)C.
What is the InChIKey of [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine?
The InChIKey is GAVCVEVVHSDGGM-ULCMQJKXSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-7-8-9-10-11-14(2)16-15(12-18)19(16)13-17(3,4)5/h6-9,11,15-16H,10,12-13,18H2,1-5H3/b7-6-,9-8-,14-11+/t15-,16?,19?/m1/s1.
What are the key properties of [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine?
[(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine has a molecular weight of 262.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,2-dimethylpropyl)-3-[(2E,5Z,7Z)-nona-2,5,7-trien-2-yl]aziridin-2-yl]methanamine is sourced from PubChem (CID 135280828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).