3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine

C14H24N2 — CID 123574366

IUPAC3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine
SMILESC=C(CCN)N(C)C1=C(CCC)CCC=C1
InChIInChI=1S/C14H24N2/c1-4-7-13-8-5-6-9-14(13)16(3)12(2)10-11-15/h6,9H,2,4-5,7-8,10-11,15H2,1,3H3
InChIKeyRLMAPMPSKYKPNU-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.18
Rot. Bonds6

About 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine

3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine (PubChem CID 123574366) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine
PubChem CID123574366
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine
SMILESC=C(CCN)N(C)C1=C(CCC)CCC=C1
InChIInChI=1S/C14H24N2/c1-4-7-13-8-5-6-9-14(13)16(3)12(2)10-11-15/h6,9H,2,4-5,7-8,10-11,15H2,1,3H3
InChIKeyRLMAPMPSKYKPNU-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine (CID 123574366) is 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine is C=C(CCN)N(C)C1=C(CCC)CCC=C1.
What is the InChIKey of 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine?
The InChIKey is RLMAPMPSKYKPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-13-8-5-6-9-14(13)16(3)12(2)10-11-15/h6,9H,2,4-5,7-8,10-11,15H2,1,3H3.
What are the key properties of 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine?
3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-propylcyclohexa-1,5-dien-1-yl)but-3-ene-1,3-diamine is sourced from PubChem (CID 123574366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).