N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide

C15H28N2O2 — CID 103970098

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
SMILESNCC1(CNC(=O)CCC2CCCO2)CCCCC1
InChIInChI=1S/C15H28N2O2/c16-11-15(8-2-1-3-9-15)12-17-14(18)7-6-13-5-4-10-19-13/h13H,1-12,16H2,(H,17,18)
InChIKeyCPOLQNRWLSNZDL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 103970098) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
PubChem CID103970098
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
SMILESNCC1(CNC(=O)CCC2CCCO2)CCCCC1
InChIInChI=1S/C15H28N2O2/c16-11-15(8-2-1-3-9-15)12-17-14(18)7-6-13-5-4-10-19-13/h13H,1-12,16H2,(H,17,18)
InChIKeyCPOLQNRWLSNZDL-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[[1-(aminomethyl)cyclopentyl]methyl]-3-(oxan-2-yl)propanamide
CID 115365479
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(oxolan-2-yl)acetamide
CID 113295133
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 120887184
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 95619752
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide
CID 113359953
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide (CID 103970098) is N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide is NCC1(CNC(=O)CCC2CCCO2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is CPOLQNRWLSNZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-11-15(8-2-1-3-9-15)12-17-14(18)7-6-13-5-4-10-19-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 103970098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).