N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

C19H34N2 — CID 63495953

IUPACN,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CC(C)C(NC)c1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-6-7-11-14-21(16(2)3)15-17(4)19(20-5)18-12-9-8-10-13-18/h8-10,12-13,16-17,19-20H,6-7,11,14-15H2,1-5H3
InChIKeyNLSYJFYACJGHAS-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.48
Rot. Bonds10

About N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine

N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 63495953) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID63495953
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC NameN,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CC(C)C(NC)c1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-6-7-11-14-21(16(2)3)15-17(4)19(20-5)18-12-9-8-10-13-18/h8-10,12-13,16-17,19-20H,6-7,11,14-15H2,1-5H3
InChIKeyNLSYJFYACJGHAS-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619451
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63468338
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine (CID 63495953) is N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is CCCCCN(CC(C)C(NC)c1ccccc1)C(C)C.
What is the InChIKey of N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is NLSYJFYACJGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-7-11-14-21(16(2)3)15-17(4)19(20-5)18-12-9-8-10-13-18/h8-10,12-13,16-17,19-20H,6-7,11,14-15H2,1-5H3.
What are the key properties of N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine?
N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-pentyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63495953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).