1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide

C15H30N2O2 — CID 106011493

IUPAC1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-13(2)19-11-7-6-10-17-14(18)15(12-16)8-4-3-5-9-15/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyMGZYNMNIOBXIST-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.22
Rot. Bonds8

About 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide (PubChem CID 106011493) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
PubChem CID106011493
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-13(2)19-11-7-6-10-17-14(18)15(12-16)8-4-3-5-9-15/h13H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyMGZYNMNIOBXIST-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-amino-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011328
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106005703
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide (CID 106011493) is 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide is CC(C)OCCCCNC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
The InChIKey is MGZYNMNIOBXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2)19-11-7-6-10-17-14(18)15(12-16)8-4-3-5-9-15/h13H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106011493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).