4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol

C16H33NO — CID 107151769

IUPAC4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
SMILESCCCC1CCCC(NCC(O)CC(C)C)CC1
InChIInChI=1S/C16H33NO/c1-4-6-14-7-5-8-15(10-9-14)17-12-16(18)11-13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyUKHRBTNODMDWDS-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.73
Rot. Bonds7

About 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol

4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol (PubChem CID 107151769) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
PubChem CID107151769
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol
SMILESCCCC1CCCC(NCC(O)CC(C)C)CC1
InChIInChI=1S/C16H33NO/c1-4-6-14-7-5-8-15(10-9-14)17-12-16(18)11-13(2)3/h13-18H,4-12H2,1-3H3
InChIKeyUKHRBTNODMDWDS-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091
1-(dimethylamino)-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 54962696
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
CID 111466545
4-methyl-1-[(1-propylpiperidin-4-yl)amino]pentan-2-ol
CID 103779663
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
1-(cyclobutylamino)butan-2-ol
CID 62416322
4-methyl-1-[(2-propyloxan-4-yl)amino]pentan-2-ol
CID 103991084
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol (CID 107151769) is 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol is CCCC1CCCC(NCC(O)CC(C)C)CC1.
What is the InChIKey of 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol?
The InChIKey is UKHRBTNODMDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-14-7-5-8-15(10-9-14)17-12-16(18)11-13(2)3/h13-18H,4-12H2,1-3H3.
What are the key properties of 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol?
4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol has a molecular weight of 255.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-propylcycloheptyl)amino]pentan-2-ol is sourced from PubChem (CID 107151769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).