N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine

C19H32N2 — CID 78987346

IUPACN-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(CCC(C)C)C1CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-16(2)12-13-21(18-10-11-18)15-19(3,14-20-4)17-8-6-5-7-9-17/h5-9,16,18,20H,10-15H2,1-4H3
InChIKeyPHJJPIDCPRNFPD-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.67
Rot. Bonds9

About N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine

N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine (PubChem CID 78987346) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine
PubChem CID78987346
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(CCC(C)C)C1CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-16(2)12-13-21(18-10-11-18)15-19(3,14-20-4)17-8-6-5-7-9-17/h5-9,16,18,20H,10-15H2,1-4H3
InChIKeyPHJJPIDCPRNFPD-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[2-methyl-3-(methylamino)-2-phenylpropyl]amino]ethanol
CID 55056120
N-cyclopropyl-N,N'-diethyl-2-methyl-2-phenylpropane-1,3-diamine
CID 62261792
N-cyclopropyl-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62262364
N,N',2-trimethyl-2-phenyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62262755
2-[cyclobutyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]ethanol
CID 102871059
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
1-[cyclopropyl(2-hydroxyethyl)amino]-2-phenylpropan-2-ol
CID 62373661
4-[cyclopropyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695209
3-[cyclopropyl(propyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64797458
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine (CID 78987346) is N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine is CNCC(C)(CN(CCC(C)C)C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine?
The InChIKey is PHJJPIDCPRNFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)12-13-21(18-10-11-18)15-19(3,14-20-4)17-8-6-5-7-9-17/h5-9,16,18,20H,10-15H2,1-4H3.
What are the key properties of N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine?
N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 78987346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).