2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide

C17H30N2O2 — CID 104677867

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
SMILESNCC1(CC(=O)N(CC2CCOC2)C2CC2)CCCCC1
InChIInChI=1S/C17H30N2O2/c18-13-17(7-2-1-3-8-17)10-16(20)19(15-4-5-15)11-14-6-9-21-12-14/h14-15H,1-13,18H2
InChIKeyMIXIOXAHUAVLPS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 104677867) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
PubChem CID104677867
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
SMILESNCC1(CC(=O)N(CC2CCOC2)C2CC2)CCCCC1
InChIInChI=1S/C17H30N2O2/c18-13-17(7-2-1-3-8-17)10-16(20)19(15-4-5-15)11-14-6-9-21-12-14/h14-15H,1-13,18H2
InChIKeyMIXIOXAHUAVLPS-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 104677648
1-(aminomethyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 115452951
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
2-[1-(aminomethyl)cyclobutyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 81172433
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
4-amino-N-cyclopropyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)butanamide
CID 114285592
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(oxolan-3-ylmethyl)acetamide
CID 112604701
3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide
CID 86994411
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
3-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119715175

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide (CID 104677867) is 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide is NCC1(CC(=O)N(CC2CCOC2)C2CC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is MIXIOXAHUAVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c18-13-17(7-2-1-3-8-17)10-16(20)19(15-4-5-15)11-14-6-9-21-12-14/h14-15H,1-13,18H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 294.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 104677867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).