2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine

C11H24N2 — CID 123645048

IUPAC2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine
SMILESC=C(C(N)C(C)(C)C)N(C)CCC
InChIInChI=1S/C11H24N2/c1-7-8-13(6)9(2)10(12)11(3,4)5/h10H,2,7-8,12H2,1,3-6H3
InChIKeyVDHHAHRXGYPHBG-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.22
Rot. Bonds4

About 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine

2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine (PubChem CID 123645048) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine
PubChem CID123645048
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine
SMILESC=C(C(N)C(C)(C)C)N(C)CCC
InChIInChI=1S/C11H24N2/c1-7-8-13(6)9(2)10(12)11(3,4)5/h10H,2,7-8,12H2,1,3-6H3
InChIKeyVDHHAHRXGYPHBG-UHFFFAOYSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine?
The IUPAC name of 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine (CID 123645048) is 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine.
What is the SMILES notation for 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine?
The canonical SMILES for 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine is C=C(C(N)C(C)(C)C)N(C)CCC.
What is the InChIKey of 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine?
The InChIKey is VDHHAHRXGYPHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-7-8-13(6)9(2)10(12)11(3,4)5/h10H,2,7-8,12H2,1,3-6H3.
What are the key properties of 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine?
2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,4-trimethyl-2-N-propylpent-1-ene-2,3-diamine is sourced from PubChem (CID 123645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).