1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol

C13H27NO — CID 79415272

IUPAC1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol
SMILESCCCC(CN)C1(O)CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-3-5-12(10-14)13(15)8-4-6-11(2)7-9-13/h11-12,15H,3-10,14H2,1-2H3
InChIKeyWCYNROFKXCLJPG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.69
Rot. Bonds4

About 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol

1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol (PubChem CID 79415272) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol
PubChem CID79415272
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol
SMILESCCCC(CN)C1(O)CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-3-5-12(10-14)13(15)8-4-6-11(2)7-9-13/h11-12,15H,3-10,14H2,1-2H3
InChIKeyWCYNROFKXCLJPG-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol
CID 79416509
1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
CID 79416014
1-(1-hydroxypentyl)-4-methylcyclohexan-1-ol
CID 103452288
4-methyl-1-(2-methylpentyl)cycloheptan-1-amine
CID 65080308
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
CID 79415426
4-(1-aminopentan-2-yl)-3-methylpiperidin-4-ol
CID 114502257
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450677
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
5-methylcyclooctane-1,1-diol
CID 22461370
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647
2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol
CID 66089159

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol?
The IUPAC name of 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol (CID 79415272) is 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol is CCCC(CN)C1(O)CCCC(C)CC1.
What is the InChIKey of 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol?
The InChIKey is WCYNROFKXCLJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-12(10-14)13(15)8-4-6-11(2)7-9-13/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol?
1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol is sourced from PubChem (CID 79415272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).