3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine

C19H35N — CID 174032059

IUPAC3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine
SMILESC=C(CCC/C(C)=C/C)N(C)C1CC(CC(C)(C)C)C1
InChIInChI=1S/C19H35N/c1-8-15(2)10-9-11-16(3)20(7)18-12-17(13-18)14-19(4,5)6/h8,17-18H,3,9-14H2,1-2,4-7H3/b15-8+
InChIKeyCICIMZAAUQJXSI-OVCLIPMQSA-N
MW277.50 g/mol
LogP5.78
Rot. Bonds7

About 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine

3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine (PubChem CID 174032059) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine
PubChem CID174032059
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine
SMILESC=C(CCC/C(C)=C/C)N(C)C1CC(CC(C)(C)C)C1
InChIInChI=1S/C19H35N/c1-8-15(2)10-9-11-16(3)20(7)18-12-17(13-18)14-19(4,5)6/h8,17-18H,3,9-14H2,1-2,4-7H3/b15-8+
InChIKeyCICIMZAAUQJXSI-OVCLIPMQSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-3-prop-1-en-2-ylcyclobutane
CID 162407946
3-(2,2-dimethylpropyl)cyclobutan-1-ol
CID 66598008
2-chloro-5-methylhepta-1,5-diene
CID 123504902
3,7-dimethyldeca-2,7-diene
CID 173346067
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
(E)-4-methylhex-4-en-1-amine
CID 55285525
3-methylhept-2-ene
CID 91513604
2,6,10-trimethyldodeca-2,10-dien-6-ol
CID 174144692
11-methyltrideca-1,11-diene
CID 139774754
3-methyldec-2-ene
CID 550799
(E)-3-methylnonadec-2-ene
CID 23160392
(E)-2,5-dimethylhept-5-en-2-ol
CID 10931542

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine (CID 174032059) is 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine is C=C(CCC/C(C)=C/C)N(C)C1CC(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine?
The InChIKey is CICIMZAAUQJXSI-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H35N/c1-8-15(2)10-9-11-16(3)20(7)18-12-17(13-18)14-19(4,5)6/h8,17-18H,3,9-14H2,1-2,4-7H3/b15-8+.
What are the key properties of 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine?
3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-methyl-N-[(6E)-6-methylocta-1,6-dien-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 174032059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).