N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide

C15H28N2O2 — CID 64927836

IUPACN-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
SMILESNC1CCCCC1CNC(=O)CCC1CCCCO1
InChIInChI=1S/C15H28N2O2/c16-14-7-2-1-5-12(14)11-17-15(18)9-8-13-6-3-4-10-19-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyVFQAUJLIHYOLEW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds5

About N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide

N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide (PubChem CID 64927836) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
PubChem CID64927836
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
SMILESNC1CCCCC1CNC(=O)CCC1CCCCO1
InChIInChI=1S/C15H28N2O2/c16-14-7-2-1-5-12(14)11-17-15(18)9-8-13-6-3-4-10-19-13/h12-14H,1-11,16H2,(H,17,18)
InChIKeyVFQAUJLIHYOLEW-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
N-[(4-methylpiperidin-3-yl)methyl]-3-(oxan-2-yl)propanamide
CID 114955758
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(oxan-2-yl)propanamide
CID 103800478
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
CID 115365479
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide (CID 64927836) is N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide is NC1CCCCC1CNC(=O)CCC1CCCCO1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
The InChIKey is VFQAUJLIHYOLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-14-7-2-1-5-12(14)11-17-15(18)9-8-13-6-3-4-10-19-13/h12-14H,1-11,16H2,(H,17,18).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide?
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 64927836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).