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

C16H33NO — CID 65091413

IUPAC4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)10-16(11-18)17-15-7-5-6-14(8-9-15)13(3)4/h12-18H,5-11H2,1-4H3
InChIKeyAHRBAGGUWLENJJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.59
Rot. Bonds6

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

4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol (PubChem CID 65091413) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
PubChem CID65091413
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)10-16(11-18)17-15-7-5-6-14(8-9-15)13(3)4/h12-18H,5-11H2,1-4H3
InChIKeyAHRBAGGUWLENJJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779
2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156
2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
CID 61242205
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
4-methyl-2-(spiro[4.5]decan-8-ylamino)pentan-1-ol
CID 114817532
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-4-methylpentan-1-ol
CID 61247146
3-(cyclopropylamino)-5-methylhexan-1-ol
CID 112708679
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124526620

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol (CID 65091413) is 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol is CC(C)CC(CO)NC1CCCC(C(C)C)CC1.
What is the InChIKey of 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
The InChIKey is AHRBAGGUWLENJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)10-16(11-18)17-15-7-5-6-14(8-9-15)13(3)4/h12-18H,5-11H2,1-4H3.
What are the key properties of 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol is sourced from PubChem (CID 65091413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).