N-(cyclopropylmethyl)-N-methylethynamine

C7H11N — CID 130272649

IUPACN-(cyclopropylmethyl)-N-methylethynamine
SMILESC#CN(C)CC1CC1
InChIInChI=1S/C7H11N/c1-3-8(2)6-7-4-5-7/h1,7H,4-6H2,2H3
InChIKeyCETGEQQVSPMMNS-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.92
Rot. Bonds2

About N-(cyclopropylmethyl)-N-methylethynamine

N-(cyclopropylmethyl)-N-methylethynamine (PubChem CID 130272649) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methylethynamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methylethynamine
PubChem CID130272649
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-(cyclopropylmethyl)-N-methylethynamine
SMILESC#CN(C)CC1CC1
InChIInChI=1S/C7H11N/c1-3-8(2)6-7-4-5-7/h1,7H,4-6H2,2H3
InChIKeyCETGEQQVSPMMNS-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-N-methylprop-2-yn-1-amine
CID 62859751
1-(cyclopropylmethyl)-3,3-dimethyl-1-prop-2-ynylurea
CID 115549872
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
N-ethynyl-N-methylcyclohexanamine
CID 69362530
N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 115532543
N-(cyclopropylmethyl)-N-ethylpent-4-yn-1-amine
CID 115873081
1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
[methyl-[(4-methylcyclohexyl)methyl]amino]azanide
CID 163725695

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methylethynamine?
The IUPAC name of N-(cyclopropylmethyl)-N-methylethynamine (CID 130272649) is N-(cyclopropylmethyl)-N-methylethynamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methylethynamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methylethynamine is C#CN(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methylethynamine?
The InChIKey is CETGEQQVSPMMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-8(2)6-7-4-5-7/h1,7H,4-6H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methylethynamine?
N-(cyclopropylmethyl)-N-methylethynamine has a molecular weight of 109.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methylethynamine is sourced from PubChem (CID 130272649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).