1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide

C12H25N3O — CID 79636493

IUPAC1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
SMILESCCCCN(C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C12H25N3O/c1-3-4-8-15(2)10-6-5-7-12(14,9-10)11(13)16/h10H,3-9,14H2,1-2H3,(H2,13,16)
InChIKeyXQQFTFABNGZECM-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.84
Rot. Bonds5

About 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide

1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide (PubChem CID 79636493) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
PubChem CID79636493
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
SMILESCCCCN(C)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C12H25N3O/c1-3-4-8-15(2)10-6-5-7-12(14,9-10)11(13)16/h10H,3-9,14H2,1-2H3,(H2,13,16)
InChIKeyXQQFTFABNGZECM-UHFFFAOYSA-N
XLogP0.84
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
1-amino-3-(dibutylamino)cyclopentane-1-carboxamide
CID 79649564
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636878
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
1-amino-3-[methyl(oxan-3-ylmethyl)amino]cyclopentane-1-carboxamide
CID 79651714

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide (CID 79636493) is 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide is CCCCN(C)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide?
The InChIKey is XQQFTFABNGZECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-4-8-15(2)10-6-5-7-12(14,9-10)11(13)16/h10H,3-9,14H2,1-2H3,(H2,13,16).
What are the key properties of 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide?
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79636493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).