5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H30ClN3 — CID 102915273

IUPAC5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1nc(NCC(C(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C17H30ClN3/c1-11(2)14(12(3)4)9-20-17-8-7-15(18)16(21-17)10-19-13(5)6/h7-8,11-14,19H,9-10H2,1-6H3,(H,20,21)
InChIKeyWNTUHMNIYZLRRW-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.57
Rot. Bonds8

About 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine

5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 102915273) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID102915273
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1nc(NCC(C(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C17H30ClN3/c1-11(2)14(12(3)4)9-20-17-8-7-15(18)16(21-17)10-19-13(5)6/h7-8,11-14,19H,9-10H2,1-6H3,(H,20,21)
InChIKeyWNTUHMNIYZLRRW-UHFFFAOYSA-N
XLogP4.57
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 102915273) is 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1nc(NCC(C(C)C)C(C)C)ccc1Cl.
What is the InChIKey of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is WNTUHMNIYZLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-11(2)14(12(3)4)9-20-17-8-7-15(18)16(21-17)10-19-13(5)6/h7-8,11-14,19H,9-10H2,1-6H3,(H,20,21).
What are the key properties of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 102915273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).