N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine

C19H40N2 — CID 130417058

IUPACN-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine
SMILESCCCCCCCC(CCCCCCC)/C(C)=N/N(C)C
InChIInChI=1S/C19H40N2/c1-6-8-10-12-14-16-19(18(3)20-21(4)5)17-15-13-11-9-7-2/h19H,6-17H2,1-5H3/b20-18+
InChIKeyPHMUNGDHYOXCGL-CZIZESTLSA-N
MW296.54 g/mol
LogP6.26
Rot. Bonds14

About N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine

N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine (PubChem CID 130417058) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine
PubChem CID130417058
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine
SMILESCCCCCCCC(CCCCCCC)/C(C)=N/N(C)C
InChIInChI=1S/C19H40N2/c1-6-8-10-12-14-16-19(18(3)20-21(4)5)17-15-13-11-9-7-2/h19H,6-17H2,1-5H3/b20-18+
InChIKeyPHMUNGDHYOXCGL-CZIZESTLSA-N
XLogP6.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;(NE)-N-(3-octylundecan-2-ylidene)hydroxylamine
CID 172958785
(E)-3-octyl-N-(propan-2-ylideneamino)undecan-2-imine
CID 118634138
1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
CID 57193649
1-(dimethylamino)pentadecan-1-ol
CID 87151804
3-pentylnonan-2-one
CID 21290467
3-butylundecan-2-one
CID 10922232
8-but-2-en-2-ylpentadecane
CID 174945434
9,11-dipentylnonadecan-10-one
CID 174915946
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
1-[[bis(1-hydroxyheptyl)amino]-(1-hydroxyoctyl)amino]octan-1-ol
CID 87743534
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
11,13-diheptyltricosan-12-one
CID 175328104

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine (CID 130417058) is N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine is CCCCCCCC(CCCCCCC)/C(C)=N/N(C)C.
What is the InChIKey of N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine?
The InChIKey is PHMUNGDHYOXCGL-CZIZESTLSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-8-10-12-14-16-19(18(3)20-21(4)5)17-15-13-11-9-7-2/h19H,6-17H2,1-5H3/b20-18+.
What are the key properties of N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine?
N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine has a molecular weight of 296.54 g/mol, XLogP of 6.26, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-heptyldecan-2-ylideneamino]-N-methylmethanamine is sourced from PubChem (CID 130417058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).