N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C14H25N3 — CID 62285974

IUPACN-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(C)c1cc(CNC(C)C)ccn1
InChIInChI=1S/C14H25N3/c1-5-6-9-17(4)14-10-13(7-8-15-14)11-16-12(2)3/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyYMJSLNNVVJGQTM-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.82
Rot. Bonds7

About N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62285974) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62285974
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(C)c1cc(CNC(C)C)ccn1
InChIInChI=1S/C14H25N3/c1-5-6-9-17(4)14-10-13(7-8-15-14)11-16-12(2)3/h7-8,10,12,16H,5-6,9,11H2,1-4H3
InChIKeyYMJSLNNVVJGQTM-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62285974) is N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CCCCN(C)c1cc(CNC(C)C)ccn1.
What is the InChIKey of N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is YMJSLNNVVJGQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-9-17(4)14-10-13(7-8-15-14)11-16-12(2)3/h7-8,10,12,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62285974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).