N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine

C17H37N3 — CID 62545961

IUPACN,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)C1CCCN(C)C1
InChIInChI=1S/C17H37N3/c1-7-10-17(4,13-18-15(2)3)14-20(6)16-9-8-11-19(5)12-16/h15-16,18H,7-14H2,1-6H3
InChIKeyXUBCNRHZYRSTCC-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds8

About N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine

N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 62545961) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID62545961
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)C1CCCN(C)C1
InChIInChI=1S/C17H37N3/c1-7-10-17(4,13-18-15(2)3)14-20(6)16-9-8-11-19(5)12-16/h15-16,18H,7-14H2,1-6H3
InChIKeyXUBCNRHZYRSTCC-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
CID 62546117
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
CID 62545786
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 55197311
N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
N,N'-dicyclopropyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62262170

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 62545961) is N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)C)CN(C)C1CCCN(C)C1.
What is the InChIKey of N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is XUBCNRHZYRSTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-10-17(4,13-18-15(2)3)14-20(6)16-9-8-11-19(5)12-16/h15-16,18H,7-14H2,1-6H3.
What are the key properties of N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62545961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).