N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine

C14H25NO — CID 167077257

IUPACN-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine
SMILESCOC1C=CC(CC(C)NC(C)(C)C)=CC1
InChIInChI=1S/C14H25NO/c1-11(15-14(2,3)4)10-12-6-8-13(16-5)9-7-12/h6-8,11,13,15H,9-10H2,1-5H3
InChIKeyMPGZQGAAPAPFEM-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.05
Rot. Bonds4

About N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine

N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine (PubChem CID 167077257) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine
PubChem CID167077257
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine
SMILESCOC1C=CC(CC(C)NC(C)(C)C)=CC1
InChIInChI=1S/C14H25NO/c1-11(15-14(2,3)4)10-12-6-8-13(16-5)9-7-12/h6-8,11,13,15H,9-10H2,1-5H3
InChIKeyMPGZQGAAPAPFEM-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine (CID 167077257) is N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine is COC1C=CC(CC(C)NC(C)(C)C)=CC1.
What is the InChIKey of N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine?
The InChIKey is MPGZQGAAPAPFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(15-14(2,3)4)10-12-6-8-13(16-5)9-7-12/h6-8,11,13,15H,9-10H2,1-5H3.
What are the key properties of N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine?
N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxycyclohexa-1,5-dien-1-yl)propan-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 167077257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).