N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine

C12H20N2 — CID 4026

IUPACN,N'-bis(buta-2,3-dienyl)butane-1,4-diamine
SMILESC=C=CCNCCCCNCC=C=C
InChIInChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
InChIKeyIKSQCMLJDHRWOA-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.63
Rot. Bonds9

About N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine

N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine (PubChem CID 4026) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(buta-2,3-dienyl)butane-1,4-diamine
PubChem CID4026
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N'-bis(buta-2,3-dienyl)butane-1,4-diamine
SMILESC=C=CCNCCCCNCC=C=C
InChIInChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
InChIKeyIKSQCMLJDHRWOA-UHFFFAOYSA-N
XLogP1.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Buta-2,3-dienyl-N''-methyl-butane-1,4-diamine
CID 146442
N*1*-Buta-2,3-dienyl-butane-1,4-diamine
CID 13561211
Mdl-72527
CID 3035046
Buta-2,3-dienyl-[3-(3-buta-2,3-dienylamino-propylamino)-propyl]-amine
CID 14585917
N,N'-Di-2-propenyl-1,3-propanediamine
CID 10630734
N'-prop-2-enylbutane-1,4-diamine
CID 44302491
N-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 146444
N-Methyl-N-(2,3-butadienyl)-1,4-butanediamine
CID 146441
N-methyl-N-(2-propenyl)-1,4-butanediamine
CID 146443
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 86717695
n,n1-Bis(2,3-butadienyl)-1,4-butanediamine
CID 21641892
Buta-2,3-dienyl-[4-(buta-2,3-dienylazaniumyl)butyl]azanium dichloride
CID 177842977

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine (CID 4026) is N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine is C=C=CCNCCCCNCC=C=C.
What is the InChIKey of N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine?
The InChIKey is IKSQCMLJDHRWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2.
What are the key properties of N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine?
N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine is sourced from PubChem (CID 4026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).