5-[(4-methylcycloheptyl)amino]pentan-2-ol

C13H27NO — CID 106121910

IUPAC5-[(4-methylcycloheptyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-11-5-3-7-13(9-8-11)14-10-4-6-12(2)15/h11-15H,3-10H2,1-2H3
InChIKeyYWEZKACAVSYLQX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds5

About 5-[(4-methylcycloheptyl)amino]pentan-2-ol

5-[(4-methylcycloheptyl)amino]pentan-2-ol (PubChem CID 106121910) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-[(4-methylcycloheptyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-methylcycloheptyl)amino]pentan-2-ol
PubChem CID106121910
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-[(4-methylcycloheptyl)amino]pentan-2-ol
SMILESCC(O)CCCNC1CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-11-5-3-7-13(9-8-11)14-10-4-6-12(2)15/h11-15H,3-10H2,1-2H3
InChIKeyYWEZKACAVSYLQX-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
CID 55249022
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
CID 107267685

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcycloheptyl)amino]pentan-2-ol?
The IUPAC name of 5-[(4-methylcycloheptyl)amino]pentan-2-ol (CID 106121910) is 5-[(4-methylcycloheptyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(4-methylcycloheptyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(4-methylcycloheptyl)amino]pentan-2-ol is CC(O)CCCNC1CCCC(C)CC1.
What is the InChIKey of 5-[(4-methylcycloheptyl)amino]pentan-2-ol?
The InChIKey is YWEZKACAVSYLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-5-3-7-13(9-8-11)14-10-4-6-12(2)15/h11-15H,3-10H2,1-2H3.
What are the key properties of 5-[(4-methylcycloheptyl)amino]pentan-2-ol?
5-[(4-methylcycloheptyl)amino]pentan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcycloheptyl)amino]pentan-2-ol is sourced from PubChem (CID 106121910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).