ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine

C13H31N3 — CID 153372136

IUPACethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
SMILESC=C.CC.CCNC(N)/C=C(\N)C(C)(C)C
InChIInChI=1S/C9H21N3.C2H6.C2H4/c1-5-12-8(11)6-7(10)9(2,3)4;2*1-2/h6,8,12H,5,10-11H2,1-4H3;1-2H3;1-2H2/b7-6-;;
InChIKeyUGXCICZYOMJQMO-AQTVDGORSA-N
MW229.41 g/mol
LogP2.60
Rot. Bonds3

About ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine

ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine (PubChem CID 153372136) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine.

Molecular Properties

Compound Nameethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
PubChem CID153372136
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Nameethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
SMILESC=C.CC.CCNC(N)/C=C(\N)C(C)(C)C
InChIInChI=1S/C9H21N3.C2H6.C2H4/c1-5-12-8(11)6-7(10)9(2,3)4;2*1-2/h6,8,12H,5,10-11H2,1-4H3;1-2H3;1-2H2/b7-6-;;
InChIKeyUGXCICZYOMJQMO-AQTVDGORSA-N
XLogP2.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine
CID 153372137
2-(ethylamino)pent-4-enamide
CID 129260438
(2R)-2-amino-1-(ethylamino)propan-1-ol
CID 142837227
amino(ethylamino)methanethiol
CID 5257678
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
N-ethyl-5-methylhex-4-en-3-amine
CID 79190287
N-ethyl-2,2,5-trimethylhex-5-en-3-amine
CID 79179373
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 155468081
N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
CID 138461440
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
The IUPAC name of ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine (CID 153372136) is ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine.
What is the SMILES notation for ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
The canonical SMILES for ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine is C=C.CC.CCNC(N)/C=C(\N)C(C)(C)C.
What is the InChIKey of ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
The InChIKey is UGXCICZYOMJQMO-AQTVDGORSA-N. The full InChI is InChI=1S/C9H21N3.C2H6.C2H4/c1-5-12-8(11)6-7(10)9(2,3)4;2*1-2/h6,8,12H,5,10-11H2,1-4H3;1-2H3;1-2H2/b7-6-;;.
What are the key properties of ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine?
ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine has a molecular weight of 229.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-1-N'-ethyl-4,4-dimethylpent-2-ene-1,1,3-triamine is sourced from PubChem (CID 153372136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).