N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide

C13H22N2O — CID 79272351

IUPACN-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC1CCC(C)CC1
InChIInChI=1S/C13H22N2O/c1-3-8-14-10-13(16)15-9-12-6-4-11(2)5-7-12/h1,11-12,14H,4-10H2,2H3,(H,15,16)
InChIKeyWCVTYKDCPNCZRA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.15
Rot. Bonds5

About N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide

N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79272351) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79272351
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC1CCC(C)CC1
InChIInChI=1S/C13H22N2O/c1-3-8-14-10-13(16)15-9-12-6-4-11(2)5-7-12/h1,11-12,14H,4-10H2,2H3,(H,15,16)
InChIKeyWCVTYKDCPNCZRA-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106134001
2-(cyclopropylmethylamino)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119831
2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600284
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418293
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
N-[(4-methylcyclohexyl)methyl]acetamide;propan-2-one
CID 143490450
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine
CID 79271656
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
CID 79208918

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide (CID 79272351) is N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCC1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is WCVTYKDCPNCZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-14-10-13(16)15-9-12-6-4-11(2)5-7-12/h1,11-12,14H,4-10H2,2H3,(H,15,16).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide?
N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).