N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine

C16H25N — CID 123578550

IUPACN,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine
SMILESC=C(C=CCC=CC)C(C)=CC=C(C)CNC
InChIInChI=1S/C16H25N/c1-6-7-8-9-10-15(3)16(4)12-11-14(2)13-17-5/h6-7,9-12,17H,3,8,13H2,1-2,4-5H3
InChIKeyMOVWTXSSVKNTOV-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.18
Rot. Bonds7

About N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine

N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine (PubChem CID 123578550) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine
PubChem CID123578550
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine
SMILESC=C(C=CCC=CC)C(C)=CC=C(C)CNC
InChIInChI=1S/C16H25N/c1-6-7-8-9-10-15(3)16(4)12-11-14(2)13-17-5/h6-7,9-12,17H,3,8,13H2,1-2,4-5H3
InChIKeyMOVWTXSSVKNTOV-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.18
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

N-Methylfarnesylamine
CID 6433497
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
CID 129146420
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 142112936
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
CID 142367099
1-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 142558621
1-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
CID 142987847
4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
CID 143002647
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine?
The IUPAC name of N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine (CID 123578550) is N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine.
What is the SMILES notation for N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine?
The canonical SMILES for N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine is C=C(C=CCC=CC)C(C)=CC=C(C)CNC.
What is the InChIKey of N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine?
The InChIKey is MOVWTXSSVKNTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-7-8-9-10-15(3)16(4)12-11-14(2)13-17-5/h6-7,9-12,17H,3,8,13H2,1-2,4-5H3.
What are the key properties of N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine?
N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine is sourced from PubChem (CID 123578550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).