ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene

C24H46N2 — CID 153362821

IUPACethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene
SMILESC=CC.C=CC1=CC(C)=CCC1.CC.CCC(CCNC)N1CCCC1
InChIInChI=1S/C10H22N2.C9H12.C3H6.C2H6/c1-3-10(6-7-11-2)12-8-4-5-9-12;1-3-9-6-4-5-8(2)7-9;1-3-2;1-2/h10-11H,3-9H2,1-2H3;3,5,7H,1,4,6H2,2H3;3H,1H2,2H3;1-2H3
InChIKeyAOCCYLKSOVPZRQ-UHFFFAOYSA-N
MW362.65 g/mol
LogP6.53
Rot. Bonds6

About ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene

ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene (PubChem CID 153362821) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene
PubChem CID153362821
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Nameethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene
SMILESC=CC.C=CC1=CC(C)=CCC1.CC.CCC(CCNC)N1CCCC1
InChIInChI=1S/C10H22N2.C9H12.C3H6.C2H6/c1-3-10(6-7-11-2)12-8-4-5-9-12;1-3-9-6-4-5-8(2)7-9;1-3-2;1-2/h10-11H,3-9H2,1-2H3;3,5,7H,1,4,6H2,2H3;3H,1H2,2H3;1-2H3
InChIKeyAOCCYLKSOVPZRQ-UHFFFAOYSA-N
XLogP6.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene?
The IUPAC name of ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene (CID 153362821) is ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene.
What is the SMILES notation for ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene?
The canonical SMILES for ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene is C=CC.C=CC1=CC(C)=CCC1.CC.CCC(CCNC)N1CCCC1.
What is the InChIKey of ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene?
The InChIKey is AOCCYLKSOVPZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H12.C3H6.C2H6/c1-3-10(6-7-11-2)12-8-4-5-9-12;1-3-9-6-4-5-8(2)7-9;1-3-2;1-2/h10-11H,3-9H2,1-2H3;3,5,7H,1,4,6H2,2H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene?
ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene has a molecular weight of 362.65 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-3-methylcyclohexa-1,3-diene;N-methyl-3-pyrrolidin-1-ylpentan-1-amine;prop-1-ene is sourced from PubChem (CID 153362821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).