1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine

C17H30N2 — CID 65486070

IUPAC1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
SMILESCCCNC(C)CCCN(C)CCc1ccccc1
InChIInChI=1S/C17H30N2/c1-4-13-18-16(2)9-8-14-19(3)15-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3
InChIKeyMAIHEWYTVRJWKB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.33
Rot. Bonds10

About 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine

1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine (PubChem CID 65486070) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
PubChem CID65486070
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
SMILESCCCNC(C)CCCN(C)CCc1ccccc1
InChIInChI=1S/C17H30N2/c1-4-13-18-16(2)9-8-14-19(3)15-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3
InChIKeyMAIHEWYTVRJWKB-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-N-propylhexan-2-amine
CID 61485022
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
N'-benzyl-N'-ethyl-N-heptan-2-ylethane-1,2-diamine
CID 63502856
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine (CID 65486070) is 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine is CCCNC(C)CCCN(C)CCc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine?
The InChIKey is MAIHEWYTVRJWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-13-18-16(2)9-8-14-19(3)15-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine?
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine is sourced from PubChem (CID 65486070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).