2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine

C17H31N — CID 173248778

IUPAC2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCCCC(C)C1(C(N)C(CC)CC)C=CC=CC1
InChIInChI=1S/C17H31N/c1-5-11-14(4)17(12-9-8-10-13-17)16(18)15(6-2)7-3/h8-10,12,14-16H,5-7,11,13,18H2,1-4H3
InChIKeyKRCAQTZZUAADEY-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.69
Rot. Bonds7

About 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine

2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine (PubChem CID 173248778) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine
PubChem CID173248778
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCCCC(C)C1(C(N)C(CC)CC)C=CC=CC1
InChIInChI=1S/C17H31N/c1-5-11-14(4)17(12-9-8-10-13-17)16(18)15(6-2)7-3/h8-10,12,14-16H,5-7,11,13,18H2,1-4H3
InChIKeyKRCAQTZZUAADEY-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine
CID 173248812
1-[1-(1-adamantyl)cyclohexa-2,4-dien-1-yl]butan-1-amine
CID 154201362
(1S,2S)-1-amino-1-(1-chlorocyclohexa-2,4-dien-1-yl)butan-2-ol
CID 160883545
5,5-di(propan-2-yl)cyclohexa-1,3-diene;5,5-di(propan-2-yl)cyclopenta-1,3-diene
CID 162280837
4-[(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)methyl]morpholine
CID 173190839
2-pentan-2-yl-1,3-dihydroinden-2-amine
CID 107892275
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol
CID 6451280
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707
(1R)-3-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-amine
CID 130391003
[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
CID 139999917
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine (CID 173248778) is 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine is CCCC(C)C1(C(N)C(CC)CC)C=CC=CC1.
What is the InChIKey of 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine?
The InChIKey is KRCAQTZZUAADEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-5-11-14(4)17(12-9-8-10-13-17)16(18)15(6-2)7-3/h8-10,12,14-16H,5-7,11,13,18H2,1-4H3.
What are the key properties of 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine?
2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-pentan-2-ylcyclohexa-2,4-dien-1-yl)butan-1-amine is sourced from PubChem (CID 173248778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).