6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine

C17H36N2 — CID 65286566

IUPAC6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCN1CCCC(C)(C)CC1
InChIInChI=1S/C17H36N2/c1-4-12-18-13-7-5-6-8-14-19-15-9-10-17(2,3)11-16-19/h18H,4-16H2,1-3H3
InChIKeyHPCONUJLANUORY-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine

6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine (PubChem CID 65286566) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
PubChem CID65286566
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCN1CCCC(C)(C)CC1
InChIInChI=1S/C17H36N2/c1-4-12-18-13-7-5-6-8-14-19-15-9-10-17(2,3)11-16-19/h18H,4-16H2,1-3H3
InChIKeyHPCONUJLANUORY-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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

5-(4,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62930314
4,4-dimethyl-1-pentylazepane
CID 18723213
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
1-hexyl-4,4-dimethylpiperidine
CID 18722930
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
N-propyl-5-(1,4-thiazepan-4-yl)pentan-1-amine
CID 62412587
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-propyl-5-thiomorpholin-4-ylpentan-1-amine
CID 62417898
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 65281727

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine?
The IUPAC name of 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine (CID 65286566) is 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine?
The canonical SMILES for 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine is CCCNCCCCCCN1CCCC(C)(C)CC1.
What is the InChIKey of 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine?
The InChIKey is HPCONUJLANUORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-12-18-13-7-5-6-8-14-19-15-9-10-17(2,3)11-16-19/h18H,4-16H2,1-3H3.
What are the key properties of 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine?
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 65286566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).