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

C17H31N3 — CID 62255944

IUPACN,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)Cc1ccccn1
InChIInChI=1S/C17H31N3/c1-6-10-17(4,13-19-15(2)3)14-20(5)12-16-9-7-8-11-18-16/h7-9,11,15,19H,6,10,12-14H2,1-5H3
InChIKeyWKBMWEWDPXFERS-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.32
Rot. Bonds9

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

N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 62255944) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID62255944
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(C)Cc1ccccn1
InChIInChI=1S/C17H31N3/c1-6-10-17(4,13-19-15(2)3)14-20(5)12-16-9-7-8-11-18-16/h7-9,11,15,19H,6,10,12-14H2,1-5H3
InChIKeyWKBMWEWDPXFERS-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215
N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62258803
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
2-(bromomethyl)-2-ethyl-N-methyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 65003475
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 62255944) is N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine is CCCC(C)(CNC(C)C)CN(C)Cc1ccccn1.
What is the InChIKey of N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is WKBMWEWDPXFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-10-17(4,13-19-15(2)3)14-20(5)12-16-9-7-8-11-18-16/h7-9,11,15,19H,6,10,12-14H2,1-5H3.
What are the key properties of N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine?
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62255944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).