3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide

C16H31N3O2 — CID 119896490

IUPAC3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-14(17)11-15(20)18-12-16(5-3-2-4-6-16)13-19-7-9-21-10-8-19/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyNTNRSUGAYAIXTH-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.12
Rot. Bonds6

About 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide

3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide (PubChem CID 119896490) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
PubChem CID119896490
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-14(17)11-15(20)18-12-16(5-3-2-4-6-16)13-19-7-9-21-10-8-19/h14H,2-13,17H2,1H3,(H,18,20)
InChIKeyNTNRSUGAYAIXTH-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-4-(1-ethylcyclohexanecarbonyl)morpholin-2-yl]methyl]acetamide
CID 164629930
(2S)-4-ethyl-N-[4-[(1-methylcyclohexanecarbonyl)amino]cyclohexyl]morpholine-2-carboxamide
CID 164637781
4,4,4-trifluoro-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 71975403
2-(azetidin-3-yl)-2-fluoro-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]acetamide
CID 132314481
3-methyl-N-[(morpholin-4-ylcyclohexyl)methyl]butanamide
CID 16455843
N-[(morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 17010882
N-[(morpholin-4-ylcyclohexyl)methyl]butanamide
CID 17010883
N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 48431946
4-(3-Azaspiro[5.5]undec-9-ylamino)-1-(2-methoxyethyl)-2-pyrrolidinone dihydrochloride
CID 56716167
(4-Amino-1-methylcyclohexyl)-morpholin-4-ylmethanone
CID 58074348
[1-(Aminomethyl)cyclohexyl]-morpholin-4-ylmethanone
CID 60079037
4-(ethylamino)-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 68387806

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide (CID 119896490) is 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide is CC(N)CC(=O)NCC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide?
The InChIKey is NTNRSUGAYAIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(17)11-15(20)18-12-16(5-3-2-4-6-16)13-19-7-9-21-10-8-19/h14H,2-13,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide?
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide has a molecular weight of 297.44 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide is sourced from PubChem (CID 119896490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).