N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine

C17H27N3 — CID 81248139

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H27N3/c1-3-8-18-10-15-11-19-13(2)9-17(15)20(16-6-7-16)12-14-4-5-14/h9,11,14,16,18H,3-8,10,12H2,1-2H3
InChIKeyBABOCNBUKKAJFE-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.27
Rot. Bonds8

About N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine

N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine (PubChem CID 81248139) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
PubChem CID81248139
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnc(C)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H27N3/c1-3-8-18-10-15-11-19-13(2)9-17(15)20(16-6-7-16)12-14-4-5-14/h9,11,14,16,18H,3-8,10,12H2,1-2H3
InChIKeyBABOCNBUKKAJFE-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81254130
N,2-dimethyl-N-(4-methylcyclohexyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81253096
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485
N-cyclopentyl-N-ethyl-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81249270
2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
N-cyclopropyl-N-(cyclopropylmethyl)-2-(propylaminomethyl)pyridin-4-amine
CID 64520477
N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 107401789
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842
N-cyclopropyl-2-methyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 81246744
N-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83189085
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine (CID 81248139) is N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnc(C)cc1N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine?
The InChIKey is BABOCNBUKKAJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-8-18-10-15-11-19-13(2)9-17(15)20(16-6-7-16)12-14-4-5-14/h9,11,14,16,18H,3-8,10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine?
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81248139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).