N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine

C20H38N2 — CID 123797413

IUPACN,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine
SMILESC/N=C/C(C)CC(C)N(C)CCC=C(C)C=CCCC(C)C
InChIInChI=1S/C20H38N2/c1-17(2)11-8-9-12-18(3)13-10-14-22(7)20(5)15-19(4)16-21-6/h9,12-13,16-17,19-20H,8,10-11,14-15H2,1-7H3/b12-9?,18-13?,21-16+
InChIKeyVFSMDJJISJXCNB-KASGWNQCSA-N
MW306.54 g/mol
LogP5.36
Rot. Bonds11

About N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine

N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine (PubChem CID 123797413) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine.

Molecular Properties

Compound NameN,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine
PubChem CID123797413
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine
SMILESC/N=C/C(C)CC(C)N(C)CCC=C(C)C=CCCC(C)C
InChIInChI=1S/C20H38N2/c1-17(2)11-8-9-12-18(3)13-10-14-22(7)20(5)15-19(4)16-21-6/h9,12-13,16-17,19-20H,8,10-11,14-15H2,1-7H3/b12-9?,18-13?,21-16+
InChIKeyVFSMDJJISJXCNB-KASGWNQCSA-N
XLogP5.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethyl-1-pent-3-enyliminopentan-3-amine
CID 123357012
N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
CID 123685297
N-butyl-3-(2,4-dimethylazet-3-yl)-N-ethyl-7-methyl-3H-azepin-6-amine
CID 137400886
(6Z,8Z)-N-(7-imino-2-methylhept-2-en-4-yl)-N,3-dimethylundeca-6,8-dien-2-amine
CID 154973455
ethane;N-methylethanimine;1-methyl-4-[(2Z,4Z)-3-methyl-6-methylideneocta-2,4,7-trien-4-yl]piperidine
CID 162360969
N-methyl-1-[4-methyl-1-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]methanimine
CID 170140928
(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine
CID 170197140
(3Z)-N,6-dimethyl-7-methylimino-N-[(3Z)-3-methylpenta-1,3-dien-2-yl]hepta-1,3-dien-4-amine
CID 174032640
(7aR)-2-propan-2-yl-4,7a-dihydro-3H-cyclopenta[c]pyridin-2-ium
CID 132990533
(7aR)-2-pentan-3-yl-4,7a-dihydro-3H-cyclopenta[c]pyridin-2-ium
CID 132990534
(4E)-4-[4,5-dimethyl-1-(3-propylhex-5-en-2-yl)-3H-pyrrol-2-ylidene]-N-methylbutan-1-imine
CID 144683552
[(3E,5E,7E)-2-ethyl-3-methyldodeca-3,5,7-trienyl]-methyl-propylideneazanium
CID 162436503

Frequently Asked Questions

What is the IUPAC name of N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine?
The IUPAC name of N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine (CID 123797413) is N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine.
What is the SMILES notation for N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine?
The canonical SMILES for N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine is C/N=C/C(C)CC(C)N(C)CCC=C(C)C=CCCC(C)C.
What is the InChIKey of N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine?
The InChIKey is VFSMDJJISJXCNB-KASGWNQCSA-N. The full InChI is InChI=1S/C20H38N2/c1-17(2)11-8-9-12-18(3)13-10-14-22(7)20(5)15-19(4)16-21-6/h9,12-13,16-17,19-20H,8,10-11,14-15H2,1-7H3/b12-9?,18-13?,21-16+.
What are the key properties of N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine?
N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine has a molecular weight of 306.54 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,9-trimethyl-N-(4-methyl-5-methyliminopentan-2-yl)deca-3,5-dien-1-amine is sourced from PubChem (CID 123797413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).