N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine

C9H18N2 — CID 88867293

IUPACN',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
SMILESC=C(C)C(=C)NCCN(C)C
InChIInChI=1S/C9H18N2/c1-8(2)9(3)10-6-7-11(4)5/h10H,1,3,6-7H2,2,4-5H3
InChIKeySXCUSOLYDVFDFK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.23
Rot. Bonds5

About N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine (PubChem CID 88867293) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
PubChem CID88867293
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
SMILESC=C(C)C(=C)NCCN(C)C
InChIInChI=1S/C9H18N2/c1-8(2)9(3)10-6-7-11(4)5/h10H,1,3,6-7H2,2,4-5H3
InChIKeySXCUSOLYDVFDFK-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine (CID 88867293) is N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine is C=C(C)C(=C)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine?
The InChIKey is SXCUSOLYDVFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9(3)10-6-7-11(4)5/h10H,1,3,6-7H2,2,4-5H3.
What are the key properties of N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 88867293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).