N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine

C20H42N4 — CID 88714609

IUPACN,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine
SMILESC/C=C(\N)CNCCCCCCCCCCCCNC/C(N)=C/C
InChIInChI=1S/C20H42N4/c1-3-19(21)17-23-15-13-11-9-7-5-6-8-10-12-14-16-24-18-20(22)4-2/h3-4,23-24H,5-18,21-22H2,1-2H3/b19-3-,20-4-
InChIKeyZZKWPEPAXAUFAP-WUQDJJQCSA-N
MW338.58 g/mol
LogP3.79
Rot. Bonds17

About N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine

N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine (PubChem CID 88714609) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine.

Molecular Properties

Compound NameN,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine
PubChem CID88714609
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC NameN,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine
SMILESC/C=C(\N)CNCCCCCCCCCCCCNC/C(N)=C/C
InChIInChI=1S/C20H42N4/c1-3-19(21)17-23-15-13-11-9-7-5-6-8-10-12-14-16-24-18-20(22)4-2/h3-4,23-24H,5-18,21-22H2,1-2H3/b19-3-,20-4-
InChIKeyZZKWPEPAXAUFAP-WUQDJJQCSA-N
XLogP3.79
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216
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CID 15689284
1-amino-3-[8-[(3-amino-2-oxopropyl)amino]octylamino]propan-2-one
CID 15689283
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
2-(5-methylhexylamino)acetamide
CID 115325450
methanol;(2E,4Z,13Z)-18-[2-(methylamino)prop-2-enylamino]octadeca-2,4,13-trien-3-ol
CID 145234846
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
(E)-1-N'-dodecylprop-1-ene-1,1-diamine
CID 87082536
dec-2-en-3-amine
CID 154268798

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine?
The IUPAC name of N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine (CID 88714609) is N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine.
What is the SMILES notation for N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine?
The canonical SMILES for N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine is C/C=C(\N)CNCCCCCCCCCCCCNC/C(N)=C/C.
What is the InChIKey of N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine?
The InChIKey is ZZKWPEPAXAUFAP-WUQDJJQCSA-N. The full InChI is InChI=1S/C20H42N4/c1-3-19(21)17-23-15-13-11-9-7-5-6-8-10-12-14-16-24-18-20(22)4-2/h3-4,23-24H,5-18,21-22H2,1-2H3/b19-3-,20-4-.
What are the key properties of N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine?
N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine has a molecular weight of 338.58 g/mol, XLogP of 3.79, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-2-aminobut-2-enyl]dodecane-1,12-diamine is sourced from PubChem (CID 88714609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).