(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine

C11H19N — CID 144585216

IUPAC(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C)CNC(C)C
InChIInChI=1S/C11H19N/c1-9(2)6-7-11(5)8-12-10(3)4/h6-7,10,12H,1,5,8H2,2-4H3/b7-6-
InChIKeyGQMNPHXNCKDQBX-SREVYHEPSA-N
MW165.28 g/mol
LogP2.67
Rot. Bonds5

About (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine

(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine (PubChem CID 144585216) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
PubChem CID144585216
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C)CNC(C)C
InChIInChI=1S/C11H19N/c1-9(2)6-7-11(5)8-12-10(3)4/h6-7,10,12H,1,5,8H2,2-4H3/b7-6-
InChIKeyGQMNPHXNCKDQBX-SREVYHEPSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
(3Z,8Z)-10-methyl-5,7-dimethylideneundeca-1,3,8,10-tetraen-2-amine;molecular hydrogen
CID 143076297
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z)-N,N,5-trimethyl-2-methylidenehexa-3,5-dien-1-amine
CID 142124132
(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
CID 176995030
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine (CID 144585216) is (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine is C=C(C)/C=C\C(=C)CNC(C)C.
What is the InChIKey of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
The InChIKey is GQMNPHXNCKDQBX-SREVYHEPSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)6-7-11(5)8-12-10(3)4/h6-7,10,12H,1,5,8H2,2-4H3/b7-6-.
What are the key properties of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 144585216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).