N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine

C10H17N — CID 123162035

IUPACN-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C10H17N/c1-4-11(3)10-7-5-9(2)6-8-10/h5,7H,4,6,8H2,1-3H3
InChIKeyXITPBLIFWONLEW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds2

About N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine

N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 123162035) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID123162035
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C10H17N/c1-4-11(3)10-7-5-9(2)6-8-10/h5,7H,4,6,8H2,1-3H3
InChIKeyXITPBLIFWONLEW-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine (CID 123162035) is N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine is CCN(C)C1=CC=C(C)CC1.
What is the InChIKey of N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is XITPBLIFWONLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-11(3)10-7-5-9(2)6-8-10/h5,7H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine?
N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 123162035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).