N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine

C17H31N — CID 85195968

IUPACN,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN(C)C
InChIInChI=1S/C17H31N/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3
InChIKeyYDXHWMQMPARYTQ-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.97
Rot. Bonds8

About N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine

N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine (PubChem CID 85195968) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound NameN,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
PubChem CID85195968
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCN(C)C
InChIInChI=1S/C17H31N/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3
InChIKeyYDXHWMQMPARYTQ-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
The IUPAC name of N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine (CID 85195968) is N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine is CC(C)=CCCC(C)=CCCC(C)=CCN(C)C.
What is the InChIKey of N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
The InChIKey is YDXHWMQMPARYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-18(5)6/h9,11,13H,7-8,10,12,14H2,1-6H3.
What are the key properties of N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine?
N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 85195968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).