N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine

C13H24N2 — CID 71031523

IUPACN-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine
SMILESCCNCC1C=CC=CC1NC(C)(C)C
InChIInChI=1S/C13H24N2/c1-5-14-10-11-8-6-7-9-12(11)15-13(2,3)4/h6-9,11-12,14-15H,5,10H2,1-4H3
InChIKeyCHAWYNNBFPVPPU-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.09
Rot. Bonds4

About N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine

N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 71031523) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine
PubChem CID71031523
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine
SMILESCCNCC1C=CC=CC1NC(C)(C)C
InChIInChI=1S/C13H24N2/c1-5-14-10-11-8-6-7-9-12(11)15-13(2,3)4/h6-9,11-12,14-15H,5,10H2,1-4H3
InChIKeyCHAWYNNBFPVPPU-UHFFFAOYSA-N
XLogP2.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine (CID 71031523) is N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine is CCNCC1C=CC=CC1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is CHAWYNNBFPVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-14-10-11-8-6-7-9-12(11)15-13(2,3)4/h6-9,11-12,14-15H,5,10H2,1-4H3.
What are the key properties of N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine?
N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(ethylaminomethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 71031523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).