3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine

C15H27N — CID 143062635

IUPAC3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine
SMILESCCC(CC1=CCCC=C1)(C(C)C)N(C)C
InChIInChI=1S/C15H27N/c1-6-15(13(2)3,16(4)5)12-14-10-8-7-9-11-14/h8,10-11,13H,6-7,9,12H2,1-5H3
InChIKeyWYQKQWDNNDFGFZ-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.02
Rot. Bonds5

About 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine

3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine (PubChem CID 143062635) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine
PubChem CID143062635
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine
SMILESCCC(CC1=CCCC=C1)(C(C)C)N(C)C
InChIInChI=1S/C15H27N/c1-6-15(13(2)3,16(4)5)12-14-10-8-7-9-11-14/h8,10-11,13H,6-7,9,12H2,1-5H3
InChIKeyWYQKQWDNNDFGFZ-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
CID 126490053
3-(2,3-dimethylcyclohexa-2,5-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 21436136
2-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 57187017
1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium
CID 59233340
(6R)-N,N,6-trimethylcyclohex-3-en-1-amine
CID 59715901
N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 66765763
1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 67104168
N,N,6-trimethylcyclohex-3-en-1-amine
CID 68312150
(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 68634677
(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 68975876
2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
CID 70665654
lithium 1-(cyclopenta-1,4-dien-1-ylmethyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 88223678

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine (CID 143062635) is 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine is CCC(CC1=CCCC=C1)(C(C)C)N(C)C.
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine?
The InChIKey is WYQKQWDNNDFGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-15(13(2)3,16(4)5)12-14-10-8-7-9-11-14/h8,10-11,13H,6-7,9,12H2,1-5H3.
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine?
3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine has a molecular weight of 221.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N,2-trimethylpentan-3-amine is sourced from PubChem (CID 143062635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).