1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine

C16H32N2 — CID 65241439

IUPAC1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine
SMILESCCCCN(CCC1(NC)CCCCC1)C1CC1
InChIInChI=1S/C16H32N2/c1-3-4-13-18(15-8-9-15)14-12-16(17-2)10-6-5-7-11-16/h15,17H,3-14H2,1-2H3
InChIKeyZWDSUNBHPBZXNN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.56
Rot. Bonds8

About 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine

1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine (PubChem CID 65241439) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine
PubChem CID65241439
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine
SMILESCCCCN(CCC1(NC)CCCCC1)C1CC1
InChIInChI=1S/C16H32N2/c1-3-4-13-18(15-8-9-15)14-12-16(17-2)10-6-5-7-11-16/h15,17H,3-14H2,1-2H3
InChIKeyZWDSUNBHPBZXNN-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-[methyl(propyl)amino]ethyl]cyclohexan-1-amine
CID 65241431
N-butyl-N-propylcyclohexanamine
CID 15751893
1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241545
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241451
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine
CID 65481324
N'-butyl-1-cyclopentyl-N'-cyclopropyl-N-methylethane-1,2-diamine
CID 104745297
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241488
N-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 167227168

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine (CID 65241439) is 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine is CCCCN(CCC1(NC)CCCCC1)C1CC1.
What is the InChIKey of 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is ZWDSUNBHPBZXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-13-18(15-8-9-15)14-12-16(17-2)10-6-5-7-11-16/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine?
1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(cyclopropyl)amino]ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65241439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).