N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine

C19H32N2 — CID 62860142

IUPACN'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1)C(C)CN(C)CC1CCC1
InChIInChI=1S/C19H32N2/c1-4-13-20-19(18-11-6-5-7-12-18)16(2)14-21(3)15-17-9-8-10-17/h5-7,11-12,16-17,19-20H,4,8-10,13-15H2,1-3H3
InChIKeyKYNYJVAKDPDWNZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.10
Rot. Bonds9

About N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine

N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine (PubChem CID 62860142) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
PubChem CID62860142
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1)C(C)CN(C)CC1CCC1
InChIInChI=1S/C19H32N2/c1-4-13-20-19(18-11-6-5-7-12-18)16(2)14-21(3)15-17-9-8-10-17/h5-7,11-12,16-17,19-20H,4,8-10,13-15H2,1-3H3
InChIKeyKYNYJVAKDPDWNZ-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N,N',2-trimethyl-N'-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63713541
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine (CID 62860142) is N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine is CCCNC(c1ccccc1)C(C)CN(C)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine?
The InChIKey is KYNYJVAKDPDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-20-19(18-11-6-5-7-12-18)16(2)14-21(3)15-17-9-8-10-17/h5-7,11-12,16-17,19-20H,4,8-10,13-15H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine?
N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N',2-dimethyl-1-phenyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62860142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).