5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H24BrN3 — CID 64521675

IUPAC5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N(CC1CC1)C1CC1
InChIInChI=1S/C16H24BrN3/c1-11(2)18-8-13-7-14(17)9-19-16(13)20(15-5-6-15)10-12-3-4-12/h7,9,11-12,15,18H,3-6,8,10H2,1-2H3
InChIKeyNKCNITHVYGWWIW-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.72
Rot. Bonds7

About 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 64521675) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID64521675
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cc(Br)cnc1N(CC1CC1)C1CC1
InChIInChI=1S/C16H24BrN3/c1-11(2)18-8-13-7-14(17)9-19-16(13)20(15-5-6-15)10-12-3-4-12/h7,9,11-12,15,18H,3-6,8,10H2,1-2H3
InChIKeyNKCNITHVYGWWIW-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 64521675) is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cc(Br)cnc1N(CC1CC1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is NKCNITHVYGWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-11(2)18-8-13-7-14(17)9-19-16(13)20(15-5-6-15)10-12-3-4-12/h7,9,11-12,15,18H,3-6,8,10H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 338.29 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 64521675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).