N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine

C12H26N2 — CID 106547265

IUPACN'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCC=C(C)C
InChIInChI=1S/C12H26N2/c1-5-10-14(6-2)11-9-13-8-7-12(3)4/h7,13H,5-6,8-11H2,1-4H3
InChIKeySWNWKDLIHXFVSW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds8

About N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine

N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine (PubChem CID 106547265) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
PubChem CID106547265
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCC=C(C)C
InChIInChI=1S/C12H26N2/c1-5-10-14(6-2)11-9-13-8-7-12(3)4/h7,13H,5-6,8-11H2,1-4H3
InChIKeySWNWKDLIHXFVSW-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine (CID 106547265) is N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine is CCCN(CC)CCNCC=C(C)C.
What is the InChIKey of N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine?
The InChIKey is SWNWKDLIHXFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10-14(6-2)11-9-13-8-7-12(3)4/h7,13H,5-6,8-11H2,1-4H3.
What are the key properties of N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine?
N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 106547265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).