N,N-dimethylcyclooctatetraenamine

C10H13N — CID 153395011

IUPACN,N-dimethylcyclooctatetraenamine
SMILESCN(C)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C10H13N/c1-11(2)10-8-6-4-3-5-7-9-10/h3-9H,1-2H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8+,10-9+
InChIKeyMBYJQJHHJDZDNF-AXMJBYMSSA-N
MW147.22 g/mol
LogP2.11
Rot. Bonds1

About N,N-dimethylcyclooctatetraenamine

N,N-dimethylcyclooctatetraenamine (PubChem CID 153395011) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N,N-dimethylcyclooctatetraenamine.

Molecular Properties

Compound NameN,N-dimethylcyclooctatetraenamine
PubChem CID153395011
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN,N-dimethylcyclooctatetraenamine
SMILESCN(C)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C10H13N/c1-11(2)10-8-6-4-3-5-7-9-10/h3-9H,1-2H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8+,10-9+
InChIKeyMBYJQJHHJDZDNF-AXMJBYMSSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 139382136
1,2-di(cycloheptyl)-1-(cyclooctatetraenyl)-2-cyclooctylhydrazine
CID 123913628
bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 54413648
N,N-dimethylcyclohepta-1,3,5-trien-1-amine
CID 13380462
N,N-dimethyl-1H-azepin-2-amine
CID 161056860
(1Z,3Z,5Z,7Z)-1,3-dimethylcycloocta-1,3,5,7-tetraene
CID 139752949
chlorocyclooctatetraene
CID 173323367
chlorocyclooctatetraene
CID 12579402
cyclooctatetraenol
CID 173085987
bicyclo[9.1.0]dodeca-1(12),2,4,6,8,10-hexaene
CID 123639950
N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 143094072
3-(dimethylamino)cyclohexa-3,5-diene-1,2-dione
CID 154016364

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclooctatetraenamine?
The IUPAC name of N,N-dimethylcyclooctatetraenamine (CID 153395011) is N,N-dimethylcyclooctatetraenamine.
What is the SMILES notation for N,N-dimethylcyclooctatetraenamine?
The canonical SMILES for N,N-dimethylcyclooctatetraenamine is CN(C)C1=C/C=C\C=C/C=C\1.
What is the InChIKey of N,N-dimethylcyclooctatetraenamine?
The InChIKey is MBYJQJHHJDZDNF-AXMJBYMSSA-N. The full InChI is InChI=1S/C10H13N/c1-11(2)10-8-6-4-3-5-7-9-10/h3-9H,1-2H3/b4-3-,5-3-,6-4-,7-5-,8-6-,9-7-,10-8+,10-9+.
What are the key properties of N,N-dimethylcyclooctatetraenamine?
N,N-dimethylcyclooctatetraenamine has a molecular weight of 147.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclooctatetraenamine is sourced from PubChem (CID 153395011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).