1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide

C16H33N3O — CID 79642020

IUPAC1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCCCCCN(C(C)C)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C16H33N3O/c1-5-6-7-11-19(13(2)3)14-9-8-10-16(12-14,18-4)15(17)20/h13-14,18H,5-12H2,1-4H3,(H2,17,20)
InChIKeyITJWICGQCZLDOQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds8

About 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide

1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79642020) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
PubChem CID79642020
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
SMILESCCCCCN(C(C)C)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C16H33N3O/c1-5-6-7-11-19(13(2)3)14-9-8-10-16(12-14,18-4)15(17)20/h13-14,18H,5-12H2,1-4H3,(H2,17,20)
InChIKeyITJWICGQCZLDOQ-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
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-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79634123
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656708
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexane-1-carboxamide
CID 79626971
1-(ethylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625202
3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79636571
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide (CID 79642020) is 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide is CCCCCN(C(C)C)C1CCCC(NC)(C(N)=O)C1.
What is the InChIKey of 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is ITJWICGQCZLDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-6-7-11-19(13(2)3)14-9-8-10-16(12-14,18-4)15(17)20/h13-14,18H,5-12H2,1-4H3,(H2,17,20).
What are the key properties of 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide?
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79642020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).