3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen

C11H28N2O — CID 143418812

IUPAC3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
SMILESCC.CCCC(N)CC(=O)NC1CC1.[H][H].[H][H]
InChIInChI=1S/C9H18N2O.C2H6.2H2/c1-2-3-7(10)6-9(12)11-8-4-5-8;1-2;;/h7-8H,2-6,10H2,1H3,(H,11,12);1-2H3;2*1H
InChIKeyVBMGVVKOWBXMFK-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen

3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen (PubChem CID 143418812) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
PubChem CID143418812
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Name3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
SMILESCC.CCCC(N)CC(=O)NC1CC1.[H][H].[H][H]
InChIInChI=1S/C9H18N2O.C2H6.2H2/c1-2-3-7(10)6-9(12)11-8-4-5-8;1-2;;/h7-8H,2-6,10H2,1H3,(H,11,12);1-2H3;2*1H
InChIKeyVBMGVVKOWBXMFK-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-methylhexanamide
CID 155359047
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
2-[2-(cycloheptylamino)-2-oxoethyl]pentanoic acid
CID 112516456
N'-cyclopropyl-2-(propylamino)butanediamide
CID 66430402
3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
CID 107418581
3-amino-1-cyclopentylhexan-1-one
CID 116607728
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen?
The IUPAC name of 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen (CID 143418812) is 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen.
What is the SMILES notation for 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen?
The canonical SMILES for 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen is CC.CCCC(N)CC(=O)NC1CC1.[H][H].[H][H].
What is the InChIKey of 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen?
The InChIKey is VBMGVVKOWBXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6.2H2/c1-2-3-7(10)6-9(12)11-8-4-5-8;1-2;;/h7-8H,2-6,10H2,1H3,(H,11,12);1-2H3;2*1H.
What are the key properties of 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen?
3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen has a molecular weight of 204.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen is sourced from PubChem (CID 143418812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).