N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine

C12H22N2 — CID 146420434

IUPACN'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine
SMILESC/C=C\C=C(/C=C\C)N(CC)CCN
InChIInChI=1S/C12H22N2/c1-4-7-9-12(8-5-2)14(6-3)11-10-13/h4-5,7-9H,6,10-11,13H2,1-3H3/b7-4-,8-5-,12-9+
InChIKeyHUXOTTCBCWKUCB-HEBQHIFJSA-N
MW194.32 g/mol
LogP2.30
Rot. Bonds6

About N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine

N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine (PubChem CID 146420434) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine
PubChem CID146420434
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine
SMILESC/C=C\C=C(/C=C\C)N(CC)CCN
InChIInChI=1S/C12H22N2/c1-4-7-9-12(8-5-2)14(6-3)11-10-13/h4-5,7-9H,6,10-11,13H2,1-3H3/b7-4-,8-5-,12-9+
InChIKeyHUXOTTCBCWKUCB-HEBQHIFJSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.30
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'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine (CID 146420434) is N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine is C/C=C\C=C(/C=C\C)N(CC)CCN.
What is the InChIKey of N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine?
The InChIKey is HUXOTTCBCWKUCB-HEBQHIFJSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-9-12(8-5-2)14(6-3)11-10-13/h4-5,7-9H,6,10-11,13H2,1-3H3/b7-4-,8-5-,12-9+.
What are the key properties of N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine?
N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 146420434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).