N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide

C13H24N2O2 — CID 114146669

IUPACN-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESNC1CCC(CNC(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H24N2O2/c14-11-5-3-10(4-6-11)9-15-13(16)8-12-2-1-7-17-12/h10-12H,1-9,14H2,(H,15,16)
InChIKeyCCUZTXGRSJDYCB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide

N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 114146669) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
PubChem CID114146669
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESNC1CCC(CNC(=O)CC2CCCO2)CC1
InChIInChI=1S/C13H24N2O2/c14-11-5-3-10(4-6-11)9-15-13(16)8-12-2-1-7-17-12/h10-12H,1-9,14H2,(H,15,16)
InChIKeyCCUZTXGRSJDYCB-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(oxolan-2-yl)acetamide
CID 65160094
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114312160
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114303017
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide (CID 114146669) is N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide is NC1CCC(CNC(=O)CC2CCCO2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is CCUZTXGRSJDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-11-5-3-10(4-6-11)9-15-13(16)8-12-2-1-7-17-12/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 114146669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).