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

C14H29NO — CID 65079779

IUPAC4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCCC(C)CC1
InChIInChI=1S/C14H29NO/c1-11(2)9-14(10-16)15-13-6-4-5-12(3)7-8-13/h11-16H,4-10H2,1-3H3
InChIKeyHIXOPBJHSFUMSF-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds5

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

4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol (PubChem CID 65079779) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
PubChem CID65079779
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCCC(C)CC1
InChIInChI=1S/C14H29NO/c1-11(2)9-14(10-16)15-13-6-4-5-12(3)7-8-13/h11-16H,4-10H2,1-3H3
InChIKeyHIXOPBJHSFUMSF-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 65091413
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156
4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260
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
4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844
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
N,N,4-trimethyl-2-[(4-methylcycloheptyl)amino]pentanamide
CID 65080591
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol (CID 65079779) is 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol is CC(C)CC(CO)NC1CCCC(C)CC1.
What is the InChIKey of 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol?
The InChIKey is HIXOPBJHSFUMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)9-14(10-16)15-13-6-4-5-12(3)7-8-13/h11-16H,4-10H2,1-3H3.
What are the key properties of 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol?
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol is sourced from PubChem (CID 65079779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).