N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine

C19H32N2 — CID 63484007

IUPACN'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(CCC)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C19H32N2/c1-4-13-20-19(17-8-6-16(3)7-9-17)12-15-21(14-5-2)18-10-11-18/h6-9,18-20H,4-5,10-15H2,1-3H3
InChIKeyPMIYRIJQUVNNID-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds10

About N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine

N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine (PubChem CID 63484007) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
PubChem CID63484007
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(CCC)C1CC1)c1ccc(C)cc1
InChIInChI=1S/C19H32N2/c1-4-13-20-19(17-8-6-16(3)7-9-17)12-15-21(14-5-2)18-10-11-18/h6-9,18-20H,4-5,10-15H2,1-3H3
InChIKeyPMIYRIJQUVNNID-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N'-cyclopropyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63470309
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63466998
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine (CID 63484007) is N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine is CCCNC(CCN(CCC)C1CC1)c1ccc(C)cc1.
What is the InChIKey of N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
The InChIKey is PMIYRIJQUVNNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-20-19(17-8-6-16(3)7-9-17)12-15-21(14-5-2)18-10-11-18/h6-9,18-20H,4-5,10-15H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63484007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).