2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol

C16H34N2O — CID 64791235

IUPAC2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)N1CCCCCC1C
InChIInChI=1S/C16H34N2O/c1-13(2)17-16(5,12-19)11-15(4)18-10-8-6-7-9-14(18)3/h13-15,17,19H,6-12H2,1-5H3
InChIKeyBBYHHBVGGWANDV-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.78
Rot. Bonds6

About 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol

2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64791235) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64791235
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)N1CCCCCC1C
InChIInChI=1S/C16H34N2O/c1-13(2)17-16(5,12-19)11-15(4)18-10-8-6-7-9-14(18)3/h13-15,17,19H,6-12H2,1-5H3
InChIKeyBBYHHBVGGWANDV-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241
2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 79934789
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64786639
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64827723
5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 104969013
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 65322079
2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64797261
2-(ethylamino)-2-methyl-4-(2-methylpiperidin-1-yl)pentanenitrile
CID 64697129
4-[cyclohexyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798610
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809592
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol (CID 64791235) is 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)N1CCCCCC1C.
What is the InChIKey of 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is BBYHHBVGGWANDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)17-16(5,12-19)11-15(4)18-10-8-6-7-9-14(18)3/h13-15,17,19H,6-12H2,1-5H3.
What are the key properties of 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol?
2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylazepan-1-yl)-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64791235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).