N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine

C17H28N2 — CID 62612456

IUPACN'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
SMILESCCCCN(CCC(NC)c1ccccc1)C1CC1
InChIInChI=1S/C17H28N2/c1-3-4-13-19(16-10-11-16)14-12-17(18-2)15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3
InChIKeyACRHKGIGUUCBNZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds9

About N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine

N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62612456) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
PubChem CID62612456
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
SMILESCCCCN(CCC(NC)c1ccccc1)C1CC1
InChIInChI=1S/C17H28N2/c1-3-4-13-19(16-10-11-16)14-12-17(18-2)15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3
InChIKeyACRHKGIGUUCBNZ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
CID 61440470
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine (CID 62612456) is N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine is CCCCN(CCC(NC)c1ccccc1)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is ACRHKGIGUUCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-13-19(16-10-11-16)14-12-17(18-2)15-8-6-5-7-9-15/h5-9,16-18H,3-4,10-14H2,1-2H3.
What are the key properties of N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine?
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62612456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).