5-butylcyclohexa-2,4-dien-1-amine

C10H17N — CID 146424387

IUPAC5-butylcyclohexa-2,4-dien-1-amine
SMILESCCCCC1=CC=CC(N)C1
InChIInChI=1S/C10H17N/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-7,10H,2-3,5,8,11H2,1H3
InChIKeyNAINOZXLMVKRSO-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.39
Rot. Bonds3

About 5-butylcyclohexa-2,4-dien-1-amine

5-butylcyclohexa-2,4-dien-1-amine (PubChem CID 146424387) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-butylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-butylcyclohexa-2,4-dien-1-amine
PubChem CID146424387
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-butylcyclohexa-2,4-dien-1-amine
SMILESCCCCC1=CC=CC(N)C1
InChIInChI=1S/C10H17N/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-7,10H,2-3,5,8,11H2,1H3
InChIKeyNAINOZXLMVKRSO-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89153628
3-[5-[6-(4-butylphenyl)hexyl]cyclohexa-1,3-dien-1-yl]propan-1-ol
CID 143599644
cyclohexa-3,5-diene-1,3-diamine
CID 23462778
3-pentylcyclopent-2-en-1-amine
CID 65174875
3-decylcyclopent-2-en-1-amine
CID 65174759
3-dodecylcyclopent-2-en-1-amine
CID 65174520
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
6-butylcyclohepta-3,5-diene-1,2-dione
CID 74763915
5-prop-1-ynylcyclohexa-2,4-dien-1-amine
CID 165102050
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699569

Frequently Asked Questions

What is the IUPAC name of 5-butylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-butylcyclohexa-2,4-dien-1-amine (CID 146424387) is 5-butylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-butylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-butylcyclohexa-2,4-dien-1-amine is CCCCC1=CC=CC(N)C1.
What is the InChIKey of 5-butylcyclohexa-2,4-dien-1-amine?
The InChIKey is NAINOZXLMVKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-7,10H,2-3,5,8,11H2,1H3.
What are the key properties of 5-butylcyclohexa-2,4-dien-1-amine?
5-butylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146424387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).