N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine

C12H21NO — CID 89122683

IUPACN,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
SMILESCC1=CCC(OCCCN(C)C)C=C1
InChIInChI=1S/C12H21NO/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h5-7,12H,4,8-10H2,1-3H3
InChIKeyNUJNMNSSHHSBIW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds5

About N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine

N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine (PubChem CID 89122683) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
PubChem CID89122683
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
SMILESCC1=CCC(OCCCN(C)C)C=C1
InChIInChI=1S/C12H21NO/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h5-7,12H,4,8-10H2,1-3H3
InChIKeyNUJNMNSSHHSBIW-UHFFFAOYSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
CID 138968244
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
2-cyclohexa-2,4-dien-1-yloxy-N,N-dimethylethanamine
CID 19836973
(1Z)-N,N-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 56994850
2-(6-methoxycyclohexa-1,3-dien-1-yl)-N,N-dimethylethanamine
CID 57089492
3-cyclohexa-2,4-dien-1-yloxy-N,N,2-trimethylpropan-1-amine
CID 68312152
5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
CID 70255589
1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine
CID 70583339
10-Methoxy-5-methyl-2,3,4,6,9,10-hexahydro-1,5-benzoxazocine
CID 70823939
4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 88982036
N,N-dimethyl-3-[(3R,5E)-octa-1,5-dien-3-yl]oxypropan-1-amine
CID 89381339
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine (CID 89122683) is N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine is CC1=CCC(OCCCN(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine?
The InChIKey is NUJNMNSSHHSBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h5-7,12H,4,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine?
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine is sourced from PubChem (CID 89122683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).