2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine

C19H34N2 — CID 63482320

IUPAC2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(CCC)CCC)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-13-20-16-19(4,18-11-9-8-10-12-18)17-21(14-6-2)15-7-3/h8-12,20H,5-7,13-17H2,1-4H3
InChIKeyJPBBAQZZMZPFAL-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.07
Rot. Bonds11

About 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine

2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine (PubChem CID 63482320) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
PubChem CID63482320
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(CCC)CCC)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-13-20-16-19(4,18-11-9-8-10-12-18)17-21(14-6-2)15-7-3/h8-12,20H,5-7,13-17H2,1-4H3
InChIKeyJPBBAQZZMZPFAL-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.07
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'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 63954461
N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62263083
N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62259863
1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol
CID 79377198
2-[ethyl-[2-methyl-3-(2-methylpropylamino)-2-phenylpropyl]amino]ethanol
CID 62258274
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-methyl-2-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62261570
2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine
CID 62263166
N',N'-diethyl-N-(2-methyl-2-phenylpropyl)ethane-1,2-diamine
CID 54886399
N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256339
N,N'-diethyl-2-methyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62261442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine?
The IUPAC name of 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine (CID 63482320) is 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine is CCCNCC(C)(CN(CCC)CCC)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine?
The InChIKey is JPBBAQZZMZPFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-13-20-16-19(4,18-11-9-8-10-12-18)17-21(14-6-2)15-7-3/h8-12,20H,5-7,13-17H2,1-4H3.
What are the key properties of 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine?
2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine is sourced from PubChem (CID 63482320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).