1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine

C17H36N2 — CID 102912617

IUPAC1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
SMILESCC(C)C(CNC1(CN)CCCCCCC1)C(C)C
InChIInChI=1S/C17H36N2/c1-14(2)16(15(3)4)12-19-17(13-18)10-8-6-5-7-9-11-17/h14-16,19H,5-13,18H2,1-4H3
InChIKeyMOCRZTSOHMCPOM-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.95
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine

1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine (PubChem CID 102912617) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
PubChem CID102912617
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
SMILESCC(C)C(CNC1(CN)CCCCCCC1)C(C)C
InChIInChI=1S/C17H36N2/c1-14(2)16(15(3)4)12-19-17(13-18)10-8-6-5-7-9-11-17/h14-16,19H,5-13,18H2,1-4H3
InChIKeyMOCRZTSOHMCPOM-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
1-(aminomethyl)-3,4-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912648
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
CID 102697325
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 102912361
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
1-(aminomethyl)-N-tert-butylcyclopentan-1-amine
CID 82503235
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
1-(aminomethyl)-N-prop-2-ynylcyclobutan-1-amine
CID 79520652

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine (CID 102912617) is 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine is CC(C)C(CNC1(CN)CCCCCCC1)C(C)C.
What is the InChIKey of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine?
The InChIKey is MOCRZTSOHMCPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-14(2)16(15(3)4)12-19-17(13-18)10-8-6-5-7-9-11-17/h14-16,19H,5-13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine?
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine is sourced from PubChem (CID 102912617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).