1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine

C15H27N3 — CID 63983496

IUPAC1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine
SMILESCCC(N)C(c1ccncc1)N(C)C(C)(C)CC
InChIInChI=1S/C15H27N3/c1-6-13(16)14(12-8-10-17-11-9-12)18(5)15(3,4)7-2/h8-11,13-14H,6-7,16H2,1-5H3
InChIKeyTYQMQHNLWHNTEM-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.98
Rot. Bonds6

About 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine

1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine (PubChem CID 63983496) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine
PubChem CID63983496
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine
SMILESCCC(N)C(c1ccncc1)N(C)C(C)(C)CC
InChIInChI=1S/C15H27N3/c1-6-13(16)14(12-8-10-17-11-9-12)18(5)15(3,4)7-2/h8-11,13-14H,6-7,16H2,1-5H3
InChIKeyTYQMQHNLWHNTEM-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine (CID 63983496) is 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine is CCC(N)C(c1ccncc1)N(C)C(C)(C)CC.
What is the InChIKey of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine?
The InChIKey is TYQMQHNLWHNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-13(16)14(12-8-10-17-11-9-12)18(5)15(3,4)7-2/h8-11,13-14H,6-7,16H2,1-5H3.
What are the key properties of 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine?
1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methylbutan-2-yl)-1-pyridin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 63983496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).