N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine

C28H36N2 — CID 89027648

IUPACN,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine
SMILESC=C(C)N1CCC(c2ccccc2)=C(C)C12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C28H36N2/c1-22(2)30-21-16-26(24-12-8-6-9-13-24)23(3)27(30)17-19-28(20-18-27,29(4)5)25-14-10-7-11-15-25/h6-15H,1,16-21H2,2-5H3
InChIKeyLAMNJBQMGRFEDA-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.47
Rot. Bonds4

About N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine

N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine (PubChem CID 89027648) has the molecular formula C28H36N2 and a molecular weight of 400.61 g/mol. Its IUPAC name is N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine
PubChem CID89027648
Molecular FormulaC28H36N2
Molecular Weight400.61 g/mol
Exact Mass400.29
IUPAC NameN,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine
SMILESC=C(C)N1CCC(c2ccccc2)=C(C)C12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C28H36N2/c1-22(2)30-21-16-26(24-12-8-6-9-13-24)23(3)27(30)17-19-28(20-18-27,29(4)5)25-14-10-7-11-15-25/h6-15H,1,16-21H2,2-5H3
InChIKeyLAMNJBQMGRFEDA-UHFFFAOYSA-N
XLogP6.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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MT-45
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1-Tritylpiperidine
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1-[[4-[4-(Piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
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3,5-Dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
CID 44588213
1-N,1-N-dimethyl-1-phenyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine;dihydrochloride
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1-(1-Phenylcyclohexyl)-3-methylpiperidine
CID 150980
1-(1-Phenyl-cyclohexyl)-1,2,3,6-tetrahydro-pyridine (HCl)
CID 3025114
1-Methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine
CID 13014694
({4'-[(Dimethylamino)methyl]-[1,1'-biphenyl]-4-yl}methyl)dimethylamine
CID 13675122

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine?
The IUPAC name of N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine (CID 89027648) is N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine.
What is the SMILES notation for N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine?
The canonical SMILES for N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine is C=C(C)N1CCC(c2ccccc2)=C(C)C12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine?
The InChIKey is LAMNJBQMGRFEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2/c1-22(2)30-21-16-26(24-12-8-6-9-13-24)23(3)27(30)17-19-28(20-18-27,29(4)5)25-14-10-7-11-15-25/h6-15H,1,16-21H2,2-5H3.
What are the key properties of N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine?
N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine has a molecular weight of 400.61 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4,9-diphenyl-1-prop-1-en-2-yl-1-azaspiro[5.5]undec-4-en-9-amine is sourced from PubChem (CID 89027648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).