N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H24ClN3 — CID 62472378

IUPACN'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1ccnc(Cl)c1
InChIInChI=1S/C14H24ClN3/c1-12(2)10-18(8-7-17(3)4)11-13-5-6-16-14(15)9-13/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyQXBWDRQOTDIBFJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.75
Rot. Bonds7

About N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62472378) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62472378
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)Cc1ccnc(Cl)c1
InChIInChI=1S/C14H24ClN3/c1-12(2)10-18(8-7-17(3)4)11-13-5-6-16-14(15)9-13/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyQXBWDRQOTDIBFJ-UHFFFAOYSA-N
XLogP2.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
CID 63882102
N-[(2-chloro-4-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79484205
N-[(2-chloro-4-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611804
4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
CID 55075749
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 62305635
3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62305807
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79259446
2-[(2-chloro-4-pyridinyl)methyl-(cyanomethyl)amino]acetonitrile
CID 62469809

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62472378) is N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)Cc1ccnc(Cl)c1.
What is the InChIKey of N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is QXBWDRQOTDIBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-12(2)10-18(8-7-17(3)4)11-13-5-6-16-14(15)9-13/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 269.82 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62472378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).