N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine

C18H31N3 — CID 63700515

IUPACN-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCN(C)CCN(C)CC(C)(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(14-19-17-10-11-17,16-8-6-5-7-9-16)15-21(4)13-12-20(2)3/h5-9,17,19H,10-15H2,1-4H3
InChIKeySOKKLTBRSVSPLT-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.19
Rot. Bonds9

About N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine

N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine (PubChem CID 63700515) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine
PubChem CID63700515
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCN(C)CCN(C)CC(C)(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(14-19-17-10-11-17,16-8-6-5-7-9-16)15-21(4)13-12-20(2)3/h5-9,17,19H,10-15H2,1-4H3
InChIKeySOKKLTBRSVSPLT-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62262722
N-(cyclobutylmethyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62862088
N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
N-cyclopropyl-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62262364
N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62259863
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 63698566
2-[cyclopropyl-[2-methyl-3-(methylamino)-2-phenylpropyl]amino]ethanol
CID 55056120
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545
N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256339
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine (CID 63700515) is N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine is CN(C)CCN(C)CC(C)(CNC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The InChIKey is SOKKLTBRSVSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(14-19-17-10-11-17,16-8-6-5-7-9-16)15-21(4)13-12-20(2)3/h5-9,17,19H,10-15H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine?
N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N',2-dimethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 63700515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).