2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine

C16H29N3 — CID 62432321

IUPAC2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
SMILESCC(C)CNCC(C(C)C)N(C)Cc1cccnc1
InChIInChI=1S/C16H29N3/c1-13(2)9-18-11-16(14(3)4)19(5)12-15-7-6-8-17-10-15/h6-8,10,13-14,16,18H,9,11-12H2,1-5H3
InChIKeyJAZMQIUGUTZEQW-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds8

About 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine

2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine (PubChem CID 62432321) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
PubChem CID62432321
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
SMILESCC(C)CNCC(C(C)C)N(C)Cc1cccnc1
InChIInChI=1S/C16H29N3/c1-13(2)9-18-11-16(14(3)4)19(5)12-15-7-6-8-17-10-15/h6-8,10,13-14,16,18H,9,11-12H2,1-5H3
InChIKeyJAZMQIUGUTZEQW-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 55074332
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
1-N-ethyl-3-N-methyl-3-N-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 62431967
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
2-[methyl(pyridin-3-ylmethyl)amino]propanehydrazide
CID 63571441
1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 103225728
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine (CID 62432321) is 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine is CC(C)CNCC(C(C)C)N(C)Cc1cccnc1.
What is the InChIKey of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
The InChIKey is JAZMQIUGUTZEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)9-18-11-16(14(3)4)19(5)12-15-7-6-8-17-10-15/h6-8,10,13-14,16,18H,9,11-12H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62432321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).