ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine

C14H28N2 — CID 142099632

IUPACethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C(C)/C=C\C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C12H22N2.C2H6/c1-11(2)7-8-12(3)14(6)10-9-13(4)5;1-2/h7-8H,1,3,9-10H2,2,4-6H3;1-2H3/b8-7-;
InChIKeyPRSYRQRIECEFFQ-CFYXSCKTSA-N
MW224.39 g/mol
LogP3.15
Rot. Bonds6

About ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine (PubChem CID 142099632) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine
PubChem CID142099632
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C(C)/C=C\C(=C)N(C)CCN(C)C.CC
InChIInChI=1S/C12H22N2.C2H6/c1-11(2)7-8-12(3)14(6)10-9-13(4)5;1-2/h7-8H,1,3,9-10H2,2,4-6H3;1-2H3/b8-7-;
InChIKeyPRSYRQRIECEFFQ-CFYXSCKTSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
1-[(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-3-yl]-4-methylpiperazine
CID 143483055
N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
CID 143566790
N,N,N'-trimethyl-N'-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144127806
ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589100
N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589101
1-[1-(2-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine
CID 170343762
1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-diethylethan-1-amine
CID 45088785

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine (CID 142099632) is ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine is C=C(C)/C=C\C(=C)N(C)CCN(C)C.CC.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The InChIKey is PRSYRQRIECEFFQ-CFYXSCKTSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-11(2)7-8-12(3)14(6)10-9-13(4)5;1-2/h7-8H,1,3,9-10H2,2,4-6H3;1-2H3/b8-7-;.
What are the key properties of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 142099632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).