N-hexylcyclopenta-2,4-dien-1-amine

C11H19N — CID 101264535

IUPACN-hexylcyclopenta-2,4-dien-1-amine
SMILESCCCCCCNC1C=CC=C1
InChIInChI=1S/C11H19N/c1-2-3-4-7-10-12-11-8-5-6-9-11/h5-6,8-9,11-12H,2-4,7,10H2,1H3
InChIKeyRRLLUIWRSIMJHF-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.65
Rot. Bonds6

About N-hexylcyclopenta-2,4-dien-1-amine

N-hexylcyclopenta-2,4-dien-1-amine (PubChem CID 101264535) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-hexylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-hexylcyclopenta-2,4-dien-1-amine
PubChem CID101264535
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-hexylcyclopenta-2,4-dien-1-amine
SMILESCCCCCCNC1C=CC=C1
InChIInChI=1S/C11H19N/c1-2-3-4-7-10-12-11-8-5-6-9-11/h5-6,8-9,11-12H,2-4,7,10H2,1H3
InChIKeyRRLLUIWRSIMJHF-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3R,6S)-6-(decylamino)cyclohex-4-ene-1,2,3-triol
CID 72699699
N-oxidohexatriacontan-1-amine
CID 141154892
N-tetradecyloxiran-2-amine
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5-undecylcyclopenta-1,3-diene
CID 141280590
N-(tribromomethyl)hexadecan-1-amine
CID 175543553
1,2-diheptylhydrazine
CID 11195547
1-decyl-2-octylhydrazine
CID 154085192
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-hexylcyclopenta-2,4-dien-1-amine?
The IUPAC name of N-hexylcyclopenta-2,4-dien-1-amine (CID 101264535) is N-hexylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for N-hexylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for N-hexylcyclopenta-2,4-dien-1-amine is CCCCCCNC1C=CC=C1.
What is the InChIKey of N-hexylcyclopenta-2,4-dien-1-amine?
The InChIKey is RRLLUIWRSIMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-7-10-12-11-8-5-6-9-11/h5-6,8-9,11-12H,2-4,7,10H2,1H3.
What are the key properties of N-hexylcyclopenta-2,4-dien-1-amine?
N-hexylcyclopenta-2,4-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 101264535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).