3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine

C12H21N3 — CID 115134973

IUPAC3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
SMILESCC(C)(CCN)NCCc1ccncc1
InChIInChI=1S/C12H21N3/c1-12(2,6-7-13)15-10-5-11-3-8-14-9-4-11/h3-4,8-9,15H,5-7,10,13H2,1-2H3
InChIKeyAABHOKVBUSLYFK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.34
Rot. Bonds6

About 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine

3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine (PubChem CID 115134973) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
PubChem CID115134973
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
SMILESCC(C)(CCN)NCCc1ccncc1
InChIInChI=1S/C12H21N3/c1-12(2,6-7-13)15-10-5-11-3-8-14-9-4-11/h3-4,8-9,15H,5-7,10,13H2,1-2H3
InChIKeyAABHOKVBUSLYFK-UHFFFAOYSA-N
XLogP1.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
CID 115134895
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
3-methyl-3-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butane-1,3-diamine
CID 115134955
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115134941
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 104760595
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134207
2-(4-chlorophenyl)-4-pyridin-4-yl-2-(2-pyridin-4-ylethylamino)butanamide
CID 142792052
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine (CID 115134973) is 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine is CC(C)(CCN)NCCc1ccncc1.
What is the InChIKey of 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine?
The InChIKey is AABHOKVBUSLYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,6-7-13)15-10-5-11-3-8-14-9-4-11/h3-4,8-9,15H,5-7,10,13H2,1-2H3.
What are the key properties of 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine?
3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 115134973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).