3-amino-N-propan-2-ylcyclohexane-1-carboxamide

C10H20N2O — CID 18071391

IUPAC3-amino-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C10H20N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyNMIFPUMLJRWMFZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.03
Rot. Bonds2

About 3-amino-N-propan-2-ylcyclohexane-1-carboxamide

3-amino-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 18071391) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID18071391
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C10H20N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyNMIFPUMLJRWMFZ-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide (CID 18071391) is 3-amino-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NMIFPUMLJRWMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-N-propan-2-ylcyclohexane-1-carboxamide?
3-amino-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 18071391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).