N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine

C13H31N3 — CID 143614353

IUPACN,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine
SMILESC=CC(C(C)C)N(C)C.CNCCN(C)C
InChIInChI=1S/C8H17N.C5H14N2/c1-6-8(7(2)3)9(4)5;1-6-4-5-7(2)3/h6-8H,1H2,2-5H3;6H,4-5H2,1-3H3
InChIKeyHRYGFNMVFGNAEX-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.53
Rot. Bonds6

About N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine

N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine (PubChem CID 143614353) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine.

Molecular Properties

Compound NameN,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine
PubChem CID143614353
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine
SMILESC=CC(C(C)C)N(C)C.CNCCN(C)C
InChIInChI=1S/C8H17N.C5H14N2/c1-6-8(7(2)3)9(4)5;1-6-4-5-7(2)3/h6-8H,1H2,2-5H3;6H,4-5H2,1-3H3
InChIKeyHRYGFNMVFGNAEX-UHFFFAOYSA-N
XLogP1.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine?
The IUPAC name of N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine (CID 143614353) is N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine.
What is the SMILES notation for N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine?
The canonical SMILES for N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine is C=CC(C(C)C)N(C)C.CNCCN(C)C.
What is the InChIKey of N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine?
The InChIKey is HRYGFNMVFGNAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H14N2/c1-6-8(7(2)3)9(4)5;1-6-4-5-7(2)3/h6-8H,1H2,2-5H3;6H,4-5H2,1-3H3.
What are the key properties of N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine?
N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine has a molecular weight of 229.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethylethane-1,2-diamine;N,N,4-trimethylpent-1-en-3-amine is sourced from PubChem (CID 143614353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).