2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride

C13H25ClN2O2 — CID 119795423

IUPAC2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1CCCCC1O
InChIInChI=1S/C13H24N2O2.ClH/c16-12-4-2-1-3-11(12)8-15-13(17)9-14-7-10-5-6-10;/h10-12,14,16H,1-9H2,(H,15,17);1H
InChIKeyPOVNYCSXSLGTGU-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.08
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride (PubChem CID 119795423) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
PubChem CID119795423
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NCC1CCCCC1O
InChIInChI=1S/C13H24N2O2.ClH/c16-12-4-2-1-3-11(12)8-15-13(17)9-14-7-10-5-6-10;/h10-12,14,16H,1-9H2,(H,15,17);1H
InChIKeyPOVNYCSXSLGTGU-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
2-[(2-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 64913466
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418293
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide;hydrochloride
CID 119761458
N-(cyclopropylmethyl)-2-[(2-hydroxycycloheptyl)amino]acetamide
CID 113394731
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride (CID 119795423) is 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NCC1CCCCC1O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride?
The InChIKey is POVNYCSXSLGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c16-12-4-2-1-3-11(12)8-15-13(17)9-14-7-10-5-6-10;/h10-12,14,16H,1-9H2,(H,15,17);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119795423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).