N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine

C22H44N2O — CID 142950423

IUPACN-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
SMILESCC1C=C(OCCCN2CCCCC2)C=CC1(C)C.CCC.CNC
InChIInChI=1S/C17H29NO.C3H8.C2H7N/c1-15-14-16(8-9-17(15,2)3)19-13-7-12-18-10-5-4-6-11-18;2*1-3-2/h8-9,14-15H,4-7,10-13H2,1-3H3;3H2,1-2H3;3H,1-2H3
InChIKeyWVXWUWZQDYBPFN-UHFFFAOYSA-N
MW352.61 g/mol
LogP5.25
Rot. Bonds5

About N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine

N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine (PubChem CID 142950423) has the molecular formula C22H44N2O and a molecular weight of 352.61 g/mol. Its IUPAC name is N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine.

Molecular Properties

Compound NameN-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
PubChem CID142950423
Molecular FormulaC22H44N2O
Molecular Weight352.61 g/mol
Exact Mass352.35
IUPAC NameN-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
SMILESCC1C=C(OCCCN2CCCCC2)C=CC1(C)C.CCC.CNC
InChIInChI=1S/C17H29NO.C3H8.C2H7N/c1-15-14-16(8-9-17(15,2)3)19-13-7-12-18-10-5-4-6-11-18;2*1-3-2/h8-9,14-15H,4-7,10-13H2,1-3H3;3H2,1-2H3;3H,1-2H3
InChIKeyWVXWUWZQDYBPFN-UHFFFAOYSA-N
XLogP5.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-ethyl-6-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-[(1-methylpiperidin-3-yl)methoxy]cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 130356531
N-methyl-1-[1-piperidin-4-yl-4-(3-piperidin-1-ylpropoxy)cyclohexa-2,4-dien-1-yl]methanamine
CID 139982953
4-(4-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperidine
CID 143792414
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
CID 164737027
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidin-4-amine
CID 166648811
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-N-methylpiperidin-4-amine
CID 166648816
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-1-methylpiperidin-4-amine
CID 167000989
1-[(Z)-9-(7-tert-butyl-5-ethylcyclohepta-1,3,4,6-tetraen-1-yl)oxynon-5-enyl]piperazine
CID 177958446
1-[3-(3,4,4-Trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 142950424
1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
CID 143623493
1-methyl-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,3,3-tetramethylbutyl)cyclohexa-2,4-dien-1-amine
CID 145559889

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The IUPAC name of N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine (CID 142950423) is N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine.
What is the SMILES notation for N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The canonical SMILES for N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine is CC1C=C(OCCCN2CCCCC2)C=CC1(C)C.CCC.CNC.
What is the InChIKey of N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
The InChIKey is WVXWUWZQDYBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.C3H8.C2H7N/c1-15-14-16(8-9-17(15,2)3)19-13-7-12-18-10-5-4-6-11-18;2*1-3-2/h8-9,14-15H,4-7,10-13H2,1-3H3;3H2,1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine?
N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine has a molecular weight of 352.61 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;propane;1-[3-(3,4,4-trimethylcyclohexa-1,5-dien-1-yl)oxypropyl]piperidine is sourced from PubChem (CID 142950423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).