4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C14H27N3 — CID 44581277

IUPAC4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=CC=NCC1
InChIInChI=1S/C14H27N3/c1-4-17(5-2)12-6-7-13(3)16-14-8-10-15-11-9-14/h8,10,13,16H,4-7,9,11-12H2,1-3H3
InChIKeyMKGFIPSYIAQVRR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.44
Rot. Bonds8

About 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 44581277) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID44581277
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=CC=NCC1
InChIInChI=1S/C14H27N3/c1-4-17(5-2)12-6-7-13(3)16-14-8-10-15-11-9-14/h8,10,13,16H,4-7,9,11-12H2,1-3H3
InChIKeyMKGFIPSYIAQVRR-UHFFFAOYSA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 44581277) is 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1=CC=NCC1.
What is the InChIKey of 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is MKGFIPSYIAQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-17(5-2)12-6-7-13(3)16-14-8-10-15-11-9-14/h8,10,13,16H,4-7,9,11-12H2,1-3H3.
What are the key properties of 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 237.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 44581277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).