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

C12H21N3 — CID 7138367

IUPAC(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCC[C@H](N)CN(C)CCc1ccncc1
InChIInChI=1S/C12H21N3/c1-3-12(13)10-15(2)9-6-11-4-7-14-8-5-11/h4-5,7-8,12H,3,6,9-10,13H2,1-2H3/t12-/m0/s1
InChIKeyQASIPMMEWRXHPG-LBPRGKRZSA-N
MW207.32 g/mol
LogP1.29
Rot. Bonds6

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

(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (PubChem CID 7138367) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
PubChem CID7138367
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCC[C@H](N)CN(C)CCc1ccncc1
InChIInChI=1S/C12H21N3/c1-3-12(13)10-15(2)9-6-11-4-7-14-8-5-11/h4-5,7-8,12H,3,6,9-10,13H2,1-2H3/t12-/m0/s1
InChIKeyQASIPMMEWRXHPG-LBPRGKRZSA-N
XLogP1.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
1-pyridin-4-ylhexan-3-amine
CID 105080578
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
2-amino-3-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propan-1-ol
CID 115120934
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The IUPAC name of (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (CID 7138367) is (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is CC[C@H](N)CN(C)CCc1ccncc1.
What is the InChIKey of (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The InChIKey is QASIPMMEWRXHPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-12(13)10-15(2)9-6-11-4-7-14-8-5-11/h4-5,7-8,12H,3,6,9-10,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 7138367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).