2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine

C16H27N — CID 126510164

IUPAC2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine
SMILESC=CCC(CC=C)=C(NC(C)C)C(=C)C(C)C
InChIInChI=1S/C16H27N/c1-8-10-15(11-9-2)16(17-13(5)6)14(7)12(3)4/h8-9,12-13,17H,1-2,7,10-11H2,3-6H3
InChIKeyVELQFZXJHJGYMC-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.60
Rot. Bonds8

About 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine

2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine (PubChem CID 126510164) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine.

Molecular Properties

Compound Name2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine
PubChem CID126510164
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine
SMILESC=CCC(CC=C)=C(NC(C)C)C(=C)C(C)C
InChIInChI=1S/C16H27N/c1-8-10-15(11-9-2)16(17-13(5)6)14(7)12(3)4/h8-9,12-13,17H,1-2,7,10-11H2,3-6H3
InChIKeyVELQFZXJHJGYMC-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
N-[1-(4-fluorocyclopenta-1,3-dien-1-yl)ethyl]-2-methylbutan-1-amine
CID 130392642
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
CID 135269196
(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
CID 137390775
4-(4-ethylcyclohexa-1,5-dien-1-yl)-2-[(3Z)-2-fluorohexa-3,5-dien-3-yl]-2,5-dihydro-1H-pyrrole
CID 139314624
(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
CID 142326450
2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine
CID 143343742
5-ethenyl-4-(1-fluoroethenyl)-2-methyl-2,3-dihydro-1H-pyrrole
CID 144410222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine?
The IUPAC name of 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine (CID 126510164) is 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine.
What is the SMILES notation for 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine?
The canonical SMILES for 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine is C=CCC(CC=C)=C(NC(C)C)C(=C)C(C)C.
What is the InChIKey of 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine?
The InChIKey is VELQFZXJHJGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-8-10-15(11-9-2)16(17-13(5)6)14(7)12(3)4/h8-9,12-13,17H,1-2,7,10-11H2,3-6H3.
What are the key properties of 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine?
2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine has a molecular weight of 233.40 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-N-propan-2-yl-5-prop-2-enylocta-4,7-dien-4-amine is sourced from PubChem (CID 126510164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).