4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine

C16H34N2 — CID 65286715

IUPAC4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-5-11-17-12-6-8-15(2)18-13-7-9-16(3,4)10-14-18/h15,17H,5-14H2,1-4H3
InChIKeyLJUCKCXWXLZAEC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine

4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine (PubChem CID 65286715) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
PubChem CID65286715
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
SMILESCCCNCCCC(C)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-5-11-17-12-6-8-15(2)18-13-7-9-16(3,4)10-14-18/h15,17H,5-14H2,1-4H3
InChIKeyLJUCKCXWXLZAEC-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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

N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
CID 55248637
3-piperidin-1-yl-N-propylbutan-1-amine
CID 62425080
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
2-(4,4-dimethylazepan-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 65286526
4-(4,4-dimethylpiperidin-1-yl)pentan-1-amine
CID 62932025
N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine
CID 65286965
N-propyl-3-(1,4-thiazepan-4-yl)butan-1-amine
CID 62412235
6-(4,4-dimethylazepan-1-yl)-N-propylhexan-1-amine
CID 65286566
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine (CID 65286715) is 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine is CCCNCCCC(C)N1CCCC(C)(C)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine?
The InChIKey is LJUCKCXWXLZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-11-17-12-6-8-15(2)18-13-7-9-16(3,4)10-14-18/h15,17H,5-14H2,1-4H3.
What are the key properties of 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine?
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 65286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).