N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine

C19H35N — CID 54479150

IUPACN-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNC(C)(C)C
InChIInChI=1S/C19H35N/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5,6)7/h10,12,14,20H,8-9,11,13,15H2,1-7H3
InChIKeyXNTGIZHYIYXHLL-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.79
Rot. Bonds8

About N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine

N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine (PubChem CID 54479150) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
PubChem CID54479150
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCCC(C)=CCCC(C)=CCNC(C)(C)C
InChIInChI=1S/C19H35N/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5,6)7/h10,12,14,20H,8-9,11,13,15H2,1-7H3
InChIKeyXNTGIZHYIYXHLL-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.79
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

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The IUPAC name of N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine (CID 54479150) is N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine is CC(C)=CCCC(C)=CCCC(C)=CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
The InChIKey is XNTGIZHYIYXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-20-19(5,6)7/h10,12,14,20H,8-9,11,13,15H2,1-7H3.
What are the key properties of N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine?
N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 54479150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).