2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine

C16H29N3 — CID 55074332

IUPAC2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)CNCC(C(C)C)N(C)Cc1ccncc1
InChIInChI=1S/C16H29N3/c1-13(2)10-18-11-16(14(3)4)19(5)12-15-6-8-17-9-7-15/h6-9,13-14,16,18H,10-12H2,1-5H3
InChIKeyRQYHBRHKHTZEIK-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds8

About 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine

2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (PubChem CID 55074332) 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-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
PubChem CID55074332
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)CNCC(C(C)C)N(C)Cc1ccncc1
InChIInChI=1S/C16H29N3/c1-13(2)10-18-11-16(14(3)4)19(5)12-15-6-8-17-9-7-15/h6-9,13-14,16,18H,10-12H2,1-5H3
InChIKeyRQYHBRHKHTZEIK-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-3-ylmethyl)butane-1,2-diamine
CID 62432321
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62431127
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284159
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66456620
2-N-methyl-1-N-pentan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 62569725
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
3-N-[(4-bromophenyl)methyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011392
2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 61324758

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (CID 55074332) is 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is CC(C)CNCC(C(C)C)N(C)Cc1ccncc1.
What is the InChIKey of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The InChIKey is RQYHBRHKHTZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)10-18-11-16(14(3)4)19(5)12-15-6-8-17-9-7-15/h6-9,13-14,16,18H,10-12H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-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-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 55074332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).