5-propan-2-ylcyclohepta-1,4,6-trien-1-amine

C10H15N — CID 143544786

IUPAC5-propan-2-ylcyclohepta-1,4,6-trien-1-amine
SMILESCC(C)C1=CCC=C(N)C=C1
InChIInChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h4-8H,3,11H2,1-2H3
InChIKeyDWKCWOXWXBOVTH-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.37
Rot. Bonds1

About 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine

5-propan-2-ylcyclohepta-1,4,6-trien-1-amine (PubChem CID 143544786) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-propan-2-ylcyclohepta-1,4,6-trien-1-amine
PubChem CID143544786
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-propan-2-ylcyclohepta-1,4,6-trien-1-amine
SMILESCC(C)C1=CCC=C(N)C=C1
InChIInChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h4-8H,3,11H2,1-2H3
InChIKeyDWKCWOXWXBOVTH-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

hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
5-propan-2-ylcyclohepta-1,4,6-triene-1-carbohydrazide
CID 170440265
N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 134375617
2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran
CID 158494381
bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)
CID 142741028
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
4-propan-2-ylbenzene-1,2,3-triamine
CID 163998803
4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
CID 143215023
N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
CID 176964136
(2Z,4Z)-cycloocta-2,4,7-trien-1-amine;methanol;5-phenoxycyclohepta-1,4,6-trien-1-amine
CID 177034327
2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 154520136
3-(5-fluorocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylbutan-1-amine
CID 134365777

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine (CID 143544786) is 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine is CC(C)C1=CCC=C(N)C=C1.
What is the InChIKey of 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is DWKCWOXWXBOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8(2)9-4-3-5-10(11)7-6-9/h4-8H,3,11H2,1-2H3.
What are the key properties of 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine?
5-propan-2-ylcyclohepta-1,4,6-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 5-propan-2-ylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143544786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).