4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide

C13H26N2O2 — CID 62117621

IUPAC4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
SMILESCCCC(CC)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-5-11(4-2)15-12(16)13(10-14)6-8-17-9-7-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyBTJMFOOJGWGOBW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds6

About 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide

4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide (PubChem CID 62117621) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
PubChem CID62117621
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
SMILESCCCC(CC)NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-5-11(4-2)15-12(16)13(10-14)6-8-17-9-7-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyBTJMFOOJGWGOBW-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide 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

4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
1-(aminomethyl)-N-(1-hydroxypentan-3-yl)cyclohexane-1-carboxamide
CID 113495813
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393
N-hexan-3-yl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76935993
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
(2S)-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methylpentanoic acid
CID 115439404

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide (CID 62117621) is 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide is CCCC(CC)NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide?
The InChIKey is BTJMFOOJGWGOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-11(4-2)15-12(16)13(10-14)6-8-17-9-7-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide?
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide is sourced from PubChem (CID 62117621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).