1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine

C16H29N — CID 144895142

IUPAC1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine
SMILESCCCCC1=C(CC)CCC(CC(N)CC)=C1
InChIInChI=1S/C16H29N/c1-4-7-8-15-11-13(12-16(17)6-3)9-10-14(15)5-2/h11,16H,4-10,12,17H2,1-3H3
InChIKeyHLQMABHVVAGATB-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.73
Rot. Bonds7

About 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine

1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine (PubChem CID 144895142) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine
PubChem CID144895142
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine
SMILESCCCCC1=C(CC)CCC(CC(N)CC)=C1
InChIInChI=1S/C16H29N/c1-4-7-8-15-11-13(12-16(17)6-3)9-10-14(15)5-2/h11,16H,4-10,12,17H2,1-3H3
InChIKeyHLQMABHVVAGATB-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-ethylcyclopentene
CID 154086983
tridecan-3-amine
CID 19435959
tetradecan-3-amine;hydrobromide
CID 173393490
tritriactan-3-amine;hydrochloride
CID 173389490
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(4-hex-1-ynylphenyl)butan-2-amine
CID 170888706
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-(4-butylphenyl)-3-fluoropropan-2-amine
CID 143418394
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
ethane;hexan-3-amine
CID 143616305
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
(3S,6R)-6-methyldecan-3-amine
CID 88893264

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine?
The IUPAC name of 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine (CID 144895142) is 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine.
What is the SMILES notation for 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine?
The canonical SMILES for 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine is CCCCC1=C(CC)CCC(CC(N)CC)=C1.
What is the InChIKey of 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine?
The InChIKey is HLQMABHVVAGATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-4-7-8-15-11-13(12-16(17)6-3)9-10-14(15)5-2/h11,16H,4-10,12,17H2,1-3H3.
What are the key properties of 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine?
1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-4-ethylcyclohexa-1,3-dien-1-yl)butan-2-amine is sourced from PubChem (CID 144895142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).