3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine

C14H25N — CID 166969590

IUPAC3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine
SMILESC=CCNC(=C)C(C)(C)C(C)(C)C(=C)C
InChIInChI=1S/C14H25N/c1-9-10-15-12(4)14(7,8)13(5,6)11(2)3/h9,15H,1-2,4,10H2,3,5-8H3
InChIKeyRTUMGYZUMYGALN-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.90
Rot. Bonds6

About 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine

3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine (PubChem CID 166969590) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine.

Molecular Properties

Compound Name3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine
PubChem CID166969590
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine
SMILESC=CCNC(=C)C(C)(C)C(C)(C)C(=C)C
InChIInChI=1S/C14H25N/c1-9-10-15-12(4)14(7,8)13(5,6)11(2)3/h9,15H,1-2,4,10H2,3,5-8H3
InChIKeyRTUMGYZUMYGALN-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
4,4-dimethyl-N-prop-2-enylpent-1-en-2-amine
CID 171790832
1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
CID 118258790
3-methylidene-N-prop-2-enylpent-1-en-2-amine
CID 143353048
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
(3E,5Z)-3,4-dimethyl-N-prop-2-enylhepta-1,3,5-trien-2-amine
CID 144984649
2,2,2-trichloro-N'-methyl-N-prop-2-enylethanimidamide;hydrochloride
CID 12504740
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
CID 175381941
1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 130618823
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine?
The IUPAC name of 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine (CID 166969590) is 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine.
What is the SMILES notation for 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine?
The canonical SMILES for 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine is C=CCNC(=C)C(C)(C)C(C)(C)C(=C)C.
What is the InChIKey of 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine?
The InChIKey is RTUMGYZUMYGALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9-10-15-12(4)14(7,8)13(5,6)11(2)3/h9,15H,1-2,4,10H2,3,5-8H3.
What are the key properties of 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine?
3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentamethyl-N-prop-2-enylhexa-1,5-dien-2-amine is sourced from PubChem (CID 166969590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).