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

C17H36N2 — CID 63624701

IUPAC4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCN1CCCC(C)CC1)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-6-11-18-16(17(3,4)5)10-14-19-12-7-8-15(2)9-13-19/h15-16,18H,6-14H2,1-5H3
InChIKeyZETJOQSYYXPUKX-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

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

4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine (PubChem CID 63624701) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
PubChem CID63624701
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCN1CCCC(C)CC1)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-6-11-18-16(17(3,4)5)10-14-19-12-7-8-15(2)9-13-19/h15-16,18H,6-14H2,1-5H3
InChIKeyZETJOQSYYXPUKX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylazepan-1-yl)-2-(propylamino)butanenitrile
CID 63622118
4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
CID 114539613
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
CID 114800100
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103502662
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 104692007
5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
CID 113497185
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-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
CID 63915143

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine (CID 63624701) is 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine is CCCNC(CCN1CCCC(C)CC1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine?
The InChIKey is ZETJOQSYYXPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-11-18-16(17(3,4)5)10-14-19-12-7-8-15(2)9-13-19/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine?
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 63624701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).