N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine

C12H21N — CID 176964136

IUPACN,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
SMILESCC(C)C1=CCCC(N(C)C)C=C1
InChIInChI=1S/C12H21N/c1-10(2)11-6-5-7-12(9-8-11)13(3)4/h6,8-10,12H,5,7H2,1-4H3
InChIKeyAGOOWVAPUNYZCR-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds2

About N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine

N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine (PubChem CID 176964136) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
PubChem CID176964136
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
SMILESCC(C)C1=CCCC(N(C)C)C=C1
InChIInChI=1S/C12H21N/c1-10(2)11-6-5-7-12(9-8-11)13(3)4/h6,8-10,12H,5,7H2,1-4H3
InChIKeyAGOOWVAPUNYZCR-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 130224295
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 154520136
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 137439340
N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 134375617
bis(5-methyl-2-propan-2-ylcyclohexa-1,3-diene);ruthenium(2+)
CID 142741028
5-propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 143544786
3-[5-[5-(dimethylamino)cyclohepta-1,6-dien-1-yl]-1,3,4-oxadiazol-2-yl]benzoic acid
CID 143556582
1-cyclopropyl-1-[1-(4-ethynylcyclohexa-1,5-dien-1-yl)ethyl]hydrazine
CID 89416234

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine (CID 176964136) is N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine is CC(C)C1=CCCC(N(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine?
The InChIKey is AGOOWVAPUNYZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)11-6-5-7-12(9-8-11)13(3)4/h6,8-10,12H,5,7H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine?
N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine is sourced from PubChem (CID 176964136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).