N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C14H24ClN3 — CID 62285650

IUPACN-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(C)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C14H24ClN3/c1-5-6-7-18(4)14-13(15)8-12(10-17-14)9-16-11(2)3/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyDBTGWQDNQCYPOC-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.47
Rot. Bonds7

About N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62285650) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62285650
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCCCN(C)c1ncc(CNC(C)C)cc1Cl
InChIInChI=1S/C14H24ClN3/c1-5-6-7-18(4)14-13(15)8-12(10-17-14)9-16-11(2)3/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyDBTGWQDNQCYPOC-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62285650) is N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CCCCN(C)c1ncc(CNC(C)C)cc1Cl.
What is the InChIKey of N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is DBTGWQDNQCYPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-5-6-7-18(4)14-13(15)8-12(10-17-14)9-16-11(2)3/h8,10-11,16H,5-7,9H2,1-4H3.
What are the key properties of N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62285650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).