N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine

C11H17N — CID 130854690

IUPACN-pent-3-ynylbicyclo[3.1.0]hexan-3-amine
SMILESCC#CCCNC1CC2CC2C1
InChIInChI=1S/C11H17N/c1-2-3-4-5-12-11-7-9-6-10(9)8-11/h9-12H,4-8H2,1H3
InChIKeyZXEXHSZMDLYJQY-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.79
Rot. Bonds3

About N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine

N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine (PubChem CID 130854690) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound NameN-pent-3-ynylbicyclo[3.1.0]hexan-3-amine
PubChem CID130854690
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-pent-3-ynylbicyclo[3.1.0]hexan-3-amine
SMILESCC#CCCNC1CC2CC2C1
InChIInChI=1S/C11H17N/c1-2-3-4-5-12-11-7-9-6-10(9)8-11/h9-12H,4-8H2,1H3
InChIKeyZXEXHSZMDLYJQY-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
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-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104807094
5-methyl-N-pent-3-ynylthiolan-3-amine
CID 116642802
3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
CID 104807528
3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
1-methyl-N-pent-3-ynylpyrrolidin-3-amine
CID 104806498
2-ethyl-N-pent-3-ynyloxan-4-amine
CID 116642789
5,5-dimethyl-N-pent-3-ynyloxolan-3-amine
CID 130884507
2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
CID 104806676
N-pent-3-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 116643059
4-tert-butyl-N-pent-3-ynylcycloheptan-1-amine
CID 116643207
2-methyl-N-pent-3-ynylcyclopentan-1-amine
CID 104806874

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine?
The IUPAC name of N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine (CID 130854690) is N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine is CC#CCCNC1CC2CC2C1.
What is the InChIKey of N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine?
The InChIKey is ZXEXHSZMDLYJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-4-5-12-11-7-9-6-10(9)8-11/h9-12H,4-8H2,1H3.
What are the key properties of N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine?
N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine has a molecular weight of 163.26 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 N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 130854690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).