4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine

C16H25ClN2 — CID 113380688

IUPAC4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
SMILESCCCc1cc(CCl)cc(N(CCC)CC2CC2)n1
InChIInChI=1S/C16H25ClN2/c1-3-5-15-9-14(11-17)10-16(18-15)19(8-4-2)12-13-6-7-13/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyOGEXMTQMUBHVFS-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.40
Rot. Bonds8

About 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine

4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine (PubChem CID 113380688) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
PubChem CID113380688
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine
SMILESCCCc1cc(CCl)cc(N(CCC)CC2CC2)n1
InChIInChI=1S/C16H25ClN2/c1-3-5-15-9-14(11-17)10-16(18-15)19(8-4-2)12-13-6-7-13/h9-10,13H,3-8,11-12H2,1-2H3
InChIKeyOGEXMTQMUBHVFS-UHFFFAOYSA-N
XLogP4.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine (CID 113380688) is 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine is CCCc1cc(CCl)cc(N(CCC)CC2CC2)n1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine?
The InChIKey is OGEXMTQMUBHVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-5-15-9-14(11-17)10-16(18-15)19(8-4-2)12-13-6-7-13/h9-10,13H,3-8,11-12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine?
4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine has a molecular weight of 280.84 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclopropylmethyl)-N,6-dipropylpyridin-2-amine is sourced from PubChem (CID 113380688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).