1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine

C17H36N2 — CID 89203764

IUPAC1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine
SMILESC=C(C)C(C)(CC)NCCCCC(C)(CC)NCC
InChIInChI=1S/C17H36N2/c1-8-16(6,18-10-3)13-11-12-14-19-17(7,9-2)15(4)5/h18-19H,4,8-14H2,1-3,5-7H3
InChIKeyFUTCJFHDFCOGAA-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.27
Rot. Bonds11

About 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine

1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine (PubChem CID 89203764) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine.

Molecular Properties

Compound Name1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine
PubChem CID89203764
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine
SMILESC=C(C)C(C)(CC)NCCCCC(C)(CC)NCC
InChIInChI=1S/C17H36N2/c1-8-16(6,18-10-3)13-11-12-14-19-17(7,9-2)15(4)5/h18-19H,4,8-14H2,1-3,5-7H3
InChIKeyFUTCJFHDFCOGAA-UHFFFAOYSA-N
XLogP4.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-(4-prop-2-enylhepta-1,6-dien-4-yl)dodecan-1-amine
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N,4-bis(prop-2-enyl)oct-1-en-4-amine
CID 87877491
formonitrile;N-(4-prop-2-enylhepta-1,6-dien-4-yl)dodecan-1-amine
CID 88799842
5-methyl-5-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)heptane-1,5-diamine
CID 89131268
6-methyl-1-N-propan-2-ylhept-6-ene-1,5-diamine
CID 89929119
5-[2-(Methylaminomethyl)prop-2-enyl]nonane-1,9-diamine
CID 90886795
N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine
CID 91597724
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine?
The IUPAC name of 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine (CID 89203764) is 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine.
What is the SMILES notation for 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine?
The canonical SMILES for 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine is C=C(C)C(C)(CC)NCCCCC(C)(CC)NCC.
What is the InChIKey of 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine?
The InChIKey is FUTCJFHDFCOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-16(6,18-10-3)13-11-12-14-19-17(7,9-2)15(4)5/h18-19H,4,8-14H2,1-3,5-7H3.
What are the key properties of 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine?
1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylpent-1-en-3-yl)-5-N-ethyl-5-methylheptane-1,5-diamine is sourced from PubChem (CID 89203764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).