N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

C18H33N3 — CID 62256998

IUPACN',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)Cc1cccnc1
InChIInChI=1S/C18H33N3/c1-6-9-18(4,14-20-11-16(2)3)15-21(5)13-17-8-7-10-19-12-17/h7-8,10,12,16,20H,6,9,11,13-15H2,1-5H3
InChIKeyWPDRSQPQFNDUPN-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.57
Rot. Bonds10

About N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 62256998) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID62256998
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)Cc1cccnc1
InChIInChI=1S/C18H33N3/c1-6-9-18(4,14-20-11-16(2)3)15-21(5)13-17-8-7-10-19-12-17/h7-8,10,12,16,20H,6,9,11,13-15H2,1-5H3
InChIKeyWPDRSQPQFNDUPN-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256830
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 62432321
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
CID 62276200
N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 81075032
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 62256998) is N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(C)Cc1cccnc1.
What is the InChIKey of N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is WPDRSQPQFNDUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-9-18(4,14-20-11-16(2)3)15-21(5)13-17-8-7-10-19-12-17/h7-8,10,12,16,20H,6,9,11,13-15H2,1-5H3.
What are the key properties of N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).