1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine

C9H18N2 — CID 118258790

IUPAC1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
SMILESC=CCNC(=C)NC(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-7-10-8(2)11-9(3,4)5/h6,10-11H,1-2,7H2,3-5H3
InChIKeyGJALGDYIINWXPM-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.62
Rot. Bonds4

About 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine

1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine (PubChem CID 118258790) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
PubChem CID118258790
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
SMILESC=CCNC(=C)NC(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-7-10-8(2)11-9(3,4)5/h6,10-11H,1-2,7H2,3-5H3
InChIKeyGJALGDYIINWXPM-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 130618823
4,4-dimethyl-N-prop-2-enylpent-1-en-2-amine
CID 171790832
3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine
CID 166969590
3-methylidene-N-prop-2-enylpent-1-en-2-amine
CID 143353048
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
N-tert-butyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169537
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine?
The IUPAC name of 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine (CID 118258790) is 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine.
What is the SMILES notation for 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine?
The canonical SMILES for 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine is C=CCNC(=C)NC(C)(C)C.
What is the InChIKey of 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine?
The InChIKey is GJALGDYIINWXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-7-10-8(2)11-9(3,4)5/h6,10-11H,1-2,7H2,3-5H3.
What are the key properties of 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine?
1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine is sourced from PubChem (CID 118258790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).