2-amino-N-hexan-3-ylcyclopropane-1-carboxamide

C10H20N2O — CID 114995860

IUPAC2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
SMILESCCCC(CC)NC(=O)C1CC1N
InChIInChI=1S/C10H20N2O/c1-3-5-7(4-2)12-10(13)8-6-9(8)11/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyOVVFUTCTQINOOP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide

2-amino-N-hexan-3-ylcyclopropane-1-carboxamide (PubChem CID 114995860) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
PubChem CID114995860
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
SMILESCCCC(CC)NC(=O)C1CC1N
InChIInChI=1S/C10H20N2O/c1-3-5-7(4-2)12-10(13)8-6-9(8)11/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyOVVFUTCTQINOOP-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479
2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 65456041
(1S,6R)-6-(hexan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962371
2-amino-N-(1-methoxypentan-2-yl)cyclopentane-1-carboxamide
CID 64850676
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
CID 96536972
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
hexan-3-ylurea;molecular hydrogen
CID 143768672
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 114294679
N-(1-bromobutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 114307790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide (CID 114995860) is 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide is CCCC(CC)NC(=O)C1CC1N.
What is the InChIKey of 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide?
The InChIKey is OVVFUTCTQINOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-7(4-2)12-10(13)8-6-9(8)11/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide?
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexan-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 114995860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).