1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine

C11H19N3 — CID 104736690

IUPAC1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-14(2)7-5-11(12)8-10-4-3-6-13-9-10/h3-4,6,9,11H,5,7-8,12H2,1-2H3
InChIKeyDRTWQXMRZZQPTG-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.90
Rot. Bonds5

About 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine

1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine (PubChem CID 104736690) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
PubChem CID104736690
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
SMILESCN(C)CCC(N)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-14(2)7-5-11(12)8-10-4-3-6-13-9-10/h3-4,6,9,11H,5,7-8,12H2,1-2H3
InChIKeyDRTWQXMRZZQPTG-UHFFFAOYSA-N
XLogP0.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-pyridin-3-ylundecan-2-amine
CID 62603230
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
CID 83929772
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine (CID 104736690) is 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine is CN(C)CCC(N)Cc1cccnc1.
What is the InChIKey of 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine?
The InChIKey is DRTWQXMRZZQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(2)7-5-11(12)8-10-4-3-6-13-9-10/h3-4,6,9,11H,5,7-8,12H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine?
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine is sourced from PubChem (CID 104736690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).