1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine

C19H40N2 — CID 63481336

IUPAC1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
SMILESCCCCCCCCCCN(C)C1(CN)CCCCCC1
InChIInChI=1S/C19H40N2/c1-3-4-5-6-7-8-11-14-17-21(2)19(18-20)15-12-9-10-13-16-19/h3-18,20H2,1-2H3
InChIKeyAYFLYKIWKFBVTD-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.11
Rot. Bonds11

About 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine

1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine (PubChem CID 63481336) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
PubChem CID63481336
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
SMILESCCCCCCCCCCN(C)C1(CN)CCCCCC1
InChIInChI=1S/C19H40N2/c1-3-4-5-6-7-8-11-14-17-21(2)19(18-20)15-12-9-10-13-16-19/h3-18,20H2,1-2H3
InChIKeyAYFLYKIWKFBVTD-UHFFFAOYSA-N
XLogP5.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
1-(aminomethyl)-N-(3-ethylsulfonylpropyl)-N-methylcyclopentan-1-amine
CID 65094131
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 62010329

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine (CID 63481336) is 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine is CCCCCCCCCCN(C)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine?
The InChIKey is AYFLYKIWKFBVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-3-4-5-6-7-8-11-14-17-21(2)19(18-20)15-12-9-10-13-16-19/h3-18,20H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine?
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 5.11, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 63481336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).