2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol

C13H27NO — CID 66089159

IUPAC2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol
SMILESCCC(N)C1(CCO)CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-3-12(14)13(9-10-15)7-4-5-11(2)6-8-13/h11-12,15H,3-10,14H2,1-2H3
InChIKeyVEHSFQKKPNGBIR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol

2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol (PubChem CID 66089159) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol.

Molecular Properties

Compound Name2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol
PubChem CID66089159
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol
SMILESCCC(N)C1(CCO)CCCC(C)CC1
InChIInChI=1S/C13H27NO/c1-3-12(14)13(9-10-15)7-4-5-11(2)6-8-13/h11-12,15H,3-10,14H2,1-2H3
InChIKeyVEHSFQKKPNGBIR-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

2-[3-(1-aminopropyl)thian-3-yl]ethanol
CID 66089613
2-[3-(1-aminopropyl)thiolan-3-yl]ethanol
CID 66092179
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
2-[1-(ethylamino)-4-methylcycloheptyl]ethanol
CID 65234993
2-[1-(1-aminoethyl)cyclohexyl]ethanol
CID 66091695
2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol
CID 66091670
2-[1-(1-aminoethyl)-3-methoxycyclohexyl]ethanol
CID 106874734
1-ethyl-1,4-dimethylcycloheptane
CID 91266372
1-(2-ethylbutyl)-4-methylcycloheptan-1-amine
CID 82919408
1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol
CID 79415272
2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
CID 66097341
2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol
CID 66090292

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol?
The IUPAC name of 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol (CID 66089159) is 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol.
What is the SMILES notation for 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol?
The canonical SMILES for 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol is CCC(N)C1(CCO)CCCC(C)CC1.
What is the InChIKey of 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol?
The InChIKey is VEHSFQKKPNGBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-12(14)13(9-10-15)7-4-5-11(2)6-8-13/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol?
2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol 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 2-[1-(1-aminopropyl)-4-methylcycloheptyl]ethanol is sourced from PubChem (CID 66089159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).