2-methyl-1-N'-propylbut-1-ene-1,1-diamine

C8H18N2 — CID 143663289

IUPAC2-methyl-1-N'-propylbut-1-ene-1,1-diamine
SMILESCCCNC(N)=C(C)CC
InChIInChI=1S/C8H18N2/c1-4-6-10-8(9)7(3)5-2/h10H,4-6,9H2,1-3H3
InChIKeyWPRAJUUHTDPDKN-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-1-N'-propylbut-1-ene-1,1-diamine

2-methyl-1-N'-propylbut-1-ene-1,1-diamine (PubChem CID 143663289) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-methyl-1-N'-propylbut-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N'-propylbut-1-ene-1,1-diamine
PubChem CID143663289
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-methyl-1-N'-propylbut-1-ene-1,1-diamine
SMILESCCCNC(N)=C(C)CC
InChIInChI=1S/C8H18N2/c1-4-6-10-8(9)7(3)5-2/h10H,4-6,9H2,1-3H3
InChIKeyWPRAJUUHTDPDKN-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
The IUPAC name of 2-methyl-1-N'-propylbut-1-ene-1,1-diamine (CID 143663289) is 2-methyl-1-N'-propylbut-1-ene-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
The canonical SMILES for 2-methyl-1-N'-propylbut-1-ene-1,1-diamine is CCCNC(N)=C(C)CC.
What is the InChIKey of 2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
The InChIKey is WPRAJUUHTDPDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-10-8(9)7(3)5-2/h10H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
2-methyl-1-N'-propylbut-1-ene-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N'-propylbut-1-ene-1,1-diamine is sourced from PubChem (CID 143663289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).