N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine

C12H26N2 — CID 90210039

IUPACN'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine
SMILESC=C(CC(C)C)N(C)CCNCCC
InChIInChI=1S/C12H26N2/c1-6-7-13-8-9-14(5)12(4)10-11(2)3/h11,13H,4,6-10H2,1-3,5H3
InChIKeyMGJJTRBDFRVGHN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.48
Rot. Bonds8

About N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine

N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine (PubChem CID 90210039) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine
PubChem CID90210039
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine
SMILESC=C(CC(C)C)N(C)CCNCCC
InChIInChI=1S/C12H26N2/c1-6-7-13-8-9-14(5)12(4)10-11(2)3/h11,13H,4,6-10H2,1-3,5H3
InChIKeyMGJJTRBDFRVGHN-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine (CID 90210039) is N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine is C=C(CC(C)C)N(C)CCNCCC.
What is the InChIKey of N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine?
The InChIKey is MGJJTRBDFRVGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-7-13-8-9-14(5)12(4)10-11(2)3/h11,13H,4,6-10H2,1-3,5H3.
What are the key properties of N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine?
N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methylpent-1-en-2-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 90210039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).