N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine

C13H18Cl2N2 — CID 106993654

IUPACN-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ccc(Cl)nc1Cl)CC1CC1
InChIInChI=1S/C13H18Cl2N2/c1-9(2)17(7-10-3-4-10)8-11-5-6-12(14)16-13(11)15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyQHDXUNUVWQGSII-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.01
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine

N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine (PubChem CID 106993654) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine
PubChem CID106993654
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ccc(Cl)nc1Cl)CC1CC1
InChIInChI=1S/C13H18Cl2N2/c1-9(2)17(7-10-3-4-10)8-11-5-6-12(14)16-13(11)15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyQHDXUNUVWQGSII-UHFFFAOYSA-N
XLogP4.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 106993484
3-[(2,6-dichloro-3-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 106993640
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
CID 62208799
2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 106993926
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 115641200
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-(cyclopropylmethyl)-N-[(2-hydrazinylquinolin-3-yl)methyl]propan-2-amine
CID 62244404
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 54948852
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 106993658

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine (CID 106993654) is N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine is CC(C)N(Cc1ccc(Cl)nc1Cl)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is QHDXUNUVWQGSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9(2)17(7-10-3-4-10)8-11-5-6-12(14)16-13(11)15/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine?
N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 273.21 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 106993654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).