2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine

C10H17N — CID 104806676

IUPAC2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
SMILESCC#CCCNC1CC1(C)C
InChIInChI=1S/C10H17N/c1-4-5-6-7-11-9-8-10(9,2)3/h9,11H,6-8H2,1-3H3
InChIKeyGVGQESQVTNGNJL-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds3

About 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine

2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine (PubChem CID 104806676) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
PubChem CID104806676
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
SMILESCC#CCCNC1CC1(C)C
InChIInChI=1S/C10H17N/c1-4-5-6-7-11-9-8-10(9,2)3/h9,11H,6-8H2,1-3H3
InChIKeyGVGQESQVTNGNJL-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
CID 104807528
5,5-dimethyl-N-pent-3-ynyloxolan-3-amine
CID 130884507
N-butyl-2,2-dimethylcyclopropan-1-amine
CID 61223200
N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine
CID 130854690
2-methyl-N-pent-3-ynylcyclopentan-1-amine
CID 104806874
N-(2,2-dimethylcyclopropyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525134
N-pent-3-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 116643059
1-methyl-N-pent-3-ynylpyrrolidin-3-amine
CID 104806498
5-methyl-N-pent-3-ynylthiolan-3-amine
CID 116642802
N-(3-methoxy-3-methylbutyl)-2,2-dimethylcyclopropan-1-amine
CID 103033275
4,4-dimethyl-N-pent-3-ynyl-2,3-dihydro-1H-naphthalen-1-amine
CID 116642933
N-but-3-ynylpent-3-yn-1-amine
CID 104806965

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine (CID 104806676) is 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine is CC#CCCNC1CC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine?
The InChIKey is GVGQESQVTNGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-6-7-11-9-8-10(9,2)3/h9,11H,6-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine?
2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine is sourced from PubChem (CID 104806676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).