4-amino-N-pent-4-ynylcyclohexane-1-carboxamide

C12H20N2O — CID 106221983

IUPAC4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
SMILESC#CCCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h1,10-11H,3-9,13H2,(H,14,15)
InChIKeyXPXRDCDOHJQHPT-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.03
Rot. Bonds4

About 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide

4-amino-N-pent-4-ynylcyclohexane-1-carboxamide (PubChem CID 106221983) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
PubChem CID106221983
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
SMILESC#CCCCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h1,10-11H,3-9,13H2,(H,14,15)
InChIKeyXPXRDCDOHJQHPT-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.03
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-hex-5-ynylcyclopropanecarboxamide
CID 103758008
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide (CID 106221983) is 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide is C#CCCCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide?
The InChIKey is XPXRDCDOHJQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-9-14-12(15)10-5-7-11(13)8-6-10/h1,10-11H,3-9,13H2,(H,14,15).
What are the key properties of 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide?
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pent-4-ynylcyclohexane-1-carboxamide is sourced from PubChem (CID 106221983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).