1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine

C18H38N2 — CID 104692007

IUPAC1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCN1CCCCCC1CC)C(C)(C)C
InChIInChI=1S/C18H38N2/c1-6-13-19-17(18(3,4)5)12-15-20-14-10-8-9-11-16(20)7-2/h16-17,19H,6-15H2,1-5H3
InChIKeyPGTPLVUAQFZBBH-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds7

About 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine

1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine (PubChem CID 104692007) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
PubChem CID104692007
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCN1CCCCCC1CC)C(C)(C)C
InChIInChI=1S/C18H38N2/c1-6-13-19-17(18(3,4)5)12-15-20-14-10-8-9-11-16(20)7-2/h16-17,19H,6-15H2,1-5H3
InChIKeyPGTPLVUAQFZBBH-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
CID 104689484
4-(2-ethylpiperidin-1-yl)-2-(propylamino)butanenitrile
CID 63029660
N-[2-(2-ethylazepan-1-yl)ethyl]pentan-2-amine
CID 113442007
1-(2-ethylpiperidin-1-yl)-4-methoxy-N,4-dimethylpentan-3-amine
CID 114229053
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 62623903
N-[3-(2-ethylazepan-1-yl)propyl]-2-methylpropan-2-amine
CID 104689524
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
1-(2-ethylazepan-1-yl)-4-methoxy-4-methylpentan-3-amine
CID 114229188
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745004
2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
CID 63029460
4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
CID 114539613

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine (CID 104692007) is 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine is CCCNC(CCN1CCCCCC1CC)C(C)(C)C.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is PGTPLVUAQFZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-13-19-17(18(3,4)5)12-15-20-14-10-8-9-11-16(20)7-2/h16-17,19H,6-15H2,1-5H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine?
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 104692007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).