butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine

C14H26N4 — CID 174745623

IUPACbutane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.NCCCCN
InChIInChI=1S/C10H14N2.C4H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-3-1-2-4-6/h2,4,6,8,10H,3,5,7H2,1H3;1-6H2
InChIKeyWFXQHIMHWYLNRJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.53
Rot. Bonds4

About butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine

butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 174745623) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Namebutane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID174745623
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Namebutane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cccnc1.NCCCCN
InChIInChI=1S/C10H14N2.C4H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-3-1-2-4-6/h2,4,6,8,10H,3,5,7H2,1H3;1-6H2
InChIKeyWFXQHIMHWYLNRJ-UHFFFAOYSA-N
XLogP1.53
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine 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

hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175000566
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine (CID 174745623) is butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1cccnc1.NCCCCN.
What is the InChIKey of butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is WFXQHIMHWYLNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C4H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-3-1-2-4-6/h2,4,6,8,10H,3,5,7H2,1H3;1-6H2.
What are the key properties of butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine?
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 250.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 174745623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).