4-propan-2-ylcyclohepta-1,3,5-trien-1-amine

C10H15N — CID 143215023

IUPAC4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)C1=CC=C(N)CC=C1
InChIInChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h3-4,6-8H,5,11H2,1-2H3
InChIKeyQMQHVHILGOTJTA-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds1

About 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine

4-propan-2-ylcyclohepta-1,3,5-trien-1-amine (PubChem CID 143215023) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
PubChem CID143215023
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
SMILESCC(C)C1=CC=C(N)CC=C1
InChIInChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h3-4,6-8H,5,11H2,1-2H3
InChIKeyQMQHVHILGOTJTA-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohepta-1,3,5-triene-1,4-diamine
CID 145013911
acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
CID 143275435
4-methylcyclohepta-1,3,5-trien-1-amine;molecular hydrogen
CID 143190843
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
4-aminocyclohepta-1,3,6-triene-1-carbonitrile
CID 143822406
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
CID 153384449
3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 146359524
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
5-propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 143544786
4-N-pyridin-4-ylcyclohepta-1,3,5-triene-1,4-diamine
CID 142181687
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine (CID 143215023) is 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine is CC(C)C1=CC=C(N)CC=C1.
What is the InChIKey of 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is QMQHVHILGOTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h3-4,6-8H,5,11H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine?
4-propan-2-ylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143215023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).