2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine

C16H32N2 — CID 55093550

IUPAC2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(CCC)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-3-5-13-6-9-16(17)14(11-13)12-18(10-4-2)15-7-8-15/h13-16H,3-12,17H2,1-2H3
InChIKeyQPFABLVGHABPQF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds7

About 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine

2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 55093550) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID55093550
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(CCC)C2CC2)C1
InChIInChI=1S/C16H32N2/c1-3-5-13-6-9-16(17)14(11-13)12-18(10-4-2)15-7-8-15/h13-16H,3-12,17H2,1-2H3
InChIKeyQPFABLVGHABPQF-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608938
2-[(2-amino-5-propylcyclohexyl)methyl-cyclohexylamino]ethanol
CID 62608943
2-[(2-amino-5-propylcyclohexyl)methyl-propylamino]ethanol
CID 62610160
2-[[methyl(2-methylsulfanylethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 112664707
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62611413
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63493740
2-[[3-methoxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 63007747
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
2-[[cyclopropyl(propyl)amino]methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 63484004
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-4-methylcyclohexan-1-amine
CID 78991236

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine (CID 55093550) is 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN(CCC)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is QPFABLVGHABPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-5-13-6-9-16(17)14(11-13)12-18(10-4-2)15-7-8-15/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine?
2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55093550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).