N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine

C18H31N3 — CID 63193569

IUPACN',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
SMILESCN1CCCC(N(C)CC(C)(C)C(N)c2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-18(2,17(19)15-9-6-5-7-10-15)14-21(4)16-11-8-12-20(3)13-16/h5-7,9-10,16-17H,8,11-14,19H2,1-4H3
InChIKeyJMINALPJAKJMLN-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.74
Rot. Bonds5

About N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine

N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine (PubChem CID 63193569) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
PubChem CID63193569
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine
SMILESCN1CCCC(N(C)CC(C)(C)C(N)c2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-18(2,17(19)15-9-6-5-7-10-15)14-21(4)16-11-8-12-20(3)13-16/h5-7,9-10,16-17H,8,11-14,19H2,1-4H3
InChIKeyJMINALPJAKJMLN-UHFFFAOYSA-N
XLogP2.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211260
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-phenylpentane-1,2-diamine
CID 62546049
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
CID 106674147

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine (CID 63193569) is N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine is CN1CCCC(N(C)CC(C)(C)C(N)c2ccccc2)C1.
What is the InChIKey of N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is JMINALPJAKJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2,17(19)15-9-6-5-7-10-15)14-21(4)16-11-8-12-20(3)13-16/h5-7,9-10,16-17H,8,11-14,19H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine?
N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(1-methylpiperidin-3-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 63193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).