N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine

C14H25NO — CID 139474349

IUPACN,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine
SMILESCC(C)OC1=CC=C(N(C)C(C)C)C(C)C1
InChIInChI=1S/C14H25NO/c1-10(2)15(6)14-8-7-13(9-12(14)5)16-11(3)4/h7-8,10-12H,9H2,1-6H3
InChIKeyVSXJSOUQMALZGD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.56
Rot. Bonds4

About N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine

N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine (PubChem CID 139474349) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine
PubChem CID139474349
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine
SMILESCC(C)OC1=CC=C(N(C)C(C)C)C(C)C1
InChIInChI=1S/C14H25NO/c1-10(2)15(6)14-8-7-13(9-12(14)5)16-11(3)4/h7-8,10-12H,9H2,1-6H3
InChIKeyVSXJSOUQMALZGD-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 68394026
1-ethyl-6-[(2S)-4-methoxybutan-2-yl]-2H-pyridine
CID 145166332
4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 155053536
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine
CID 142106561
1-[4-(Cyclopropylmethoxy)cyclohexa-1,3-dien-1-yl]pyrrolidine
CID 144603191

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine?
The IUPAC name of N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine (CID 139474349) is N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine is CC(C)OC1=CC=C(N(C)C(C)C)C(C)C1.
What is the InChIKey of N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine?
The InChIKey is VSXJSOUQMALZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)15(6)14-8-7-13(9-12(14)5)16-11(3)4/h7-8,10-12H,9H2,1-6H3.
What are the key properties of N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine?
N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 139474349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).