3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride

C10H21ClN2O2 — CID 119330203

IUPAC3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C10H20N2O2.ClH/c11-6-5-10(14)12-7-8-3-1-2-4-9(8)13;/h8-9,13H,1-7,11H2,(H,12,14);1H
InChIKeyAPMGOXKAORKSLZ-UHFFFAOYSA-N
MW236.74 g/mol
LogP0.42
Rot. Bonds4

About 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride

3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride (PubChem CID 119330203) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
PubChem CID119330203
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C10H20N2O2.ClH/c11-6-5-10(14)12-7-8-3-1-2-4-9(8)13;/h8-9,13H,1-7,11H2,(H,12,14);1H
InChIKeyAPMGOXKAORKSLZ-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 119795423
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride (CID 119330203) is 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCC1O.
What is the InChIKey of 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
The InChIKey is APMGOXKAORKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c11-6-5-10(14)12-7-8-3-1-2-4-9(8)13;/h8-9,13H,1-7,11H2,(H,12,14);1H.
What are the key properties of 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride?
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119330203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).