4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine

C16H25N — CID 138702327

IUPAC4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESCN(C)C1=CC=C(C2CCCCCC2)CC=C1
InChIInChI=1S/C16H25N/c1-17(2)16-11-7-10-15(12-13-16)14-8-5-3-4-6-9-14/h7,11-14H,3-6,8-10H2,1-2H3
InChIKeyCYPWABXWIDTTHC-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.29
Rot. Bonds2

About 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine

4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 138702327) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
PubChem CID138702327
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESCN(C)C1=CC=C(C2CCCCCC2)CC=C1
InChIInChI=1S/C16H25N/c1-17(2)16-11-7-10-15(12-13-16)14-8-5-3-4-6-9-14/h7,11-14H,3-6,8-10H2,1-2H3
InChIKeyCYPWABXWIDTTHC-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
CID 142281793
N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine
CID 118457565
N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 134420584
4-N,4-N,14-N,14-N-tetramethyltricyclo[9.4.0.02,7]pentadeca-1,3,5,12,14-pentaene-4,14-diamine
CID 134487226
(2E,4Z)-7-[2-tert-butyl-5-(2,5-dimethylhexan-2-yl)cyclohepta-1,3,4-trien-1-yl]-N,N-dimethylocta-2,4,7-trien-3-amine
CID 137546467
(3Z)-3-ethyl-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142281255
butane;(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142281354
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142281792
(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142282058
(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
CID 142282282
5-(5-ethylcyclohexa-2,4-dien-1-yl)-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 143714562
(3Z)-N,N,6,9,10,13-hexamethyl-5-methylidenetetradeca-1,3-dien-2-amine
CID 145235220

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine (CID 138702327) is 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine is CN(C)C1=CC=C(C2CCCCCC2)CC=C1.
What is the InChIKey of 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is CYPWABXWIDTTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-17(2)16-11-7-10-15(12-13-16)14-8-5-3-4-6-9-14/h7,11-14H,3-6,8-10H2,1-2H3.
What are the key properties of 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine?
4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N,N-dimethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 138702327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).