N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane

C18H35ClN2 — CID 142906928

IUPACN-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane
SMILESC=CCC(CN(CC(C)C)C1CCNCC1)C(=C)Cl.CC
InChIInChI=1S/C16H29ClN2.C2H6/c1-5-6-15(14(4)17)12-19(11-13(2)3)16-7-9-18-10-8-16;1-2/h5,13,15-16,18H,1,4,6-12H2,2-3H3;1-2H3
InChIKeyGMUQOPYRONOBDQ-UHFFFAOYSA-N
MW314.95 g/mol
LogP4.67
Rot. Bonds8

About N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane

N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane (PubChem CID 142906928) has the molecular formula C18H35ClN2 and a molecular weight of 314.95 g/mol. Its IUPAC name is N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane.

Molecular Properties

Compound NameN-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane
PubChem CID142906928
Molecular FormulaC18H35ClN2
Molecular Weight314.95 g/mol
Exact Mass314.25
IUPAC NameN-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane
SMILESC=CCC(CN(CC(C)C)C1CCNCC1)C(=C)Cl.CC
InChIInChI=1S/C16H29ClN2.C2H6/c1-5-6-15(14(4)17)12-19(11-13(2)3)16-7-9-18-10-8-16;1-2/h5,13,15-16,18H,1,4,6-12H2,2-3H3;1-2H3
InChIKeyGMUQOPYRONOBDQ-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.95
LogP ≤ 54.67
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 N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane?
The IUPAC name of N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane (CID 142906928) is N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane.
What is the SMILES notation for N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane?
The canonical SMILES for N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane is C=CCC(CN(CC(C)C)C1CCNCC1)C(=C)Cl.CC.
What is the InChIKey of N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane?
The InChIKey is GMUQOPYRONOBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN2.C2H6/c1-5-6-15(14(4)17)12-19(11-13(2)3)16-7-9-18-10-8-16;1-2/h5,13,15-16,18H,1,4,6-12H2,2-3H3;1-2H3.
What are the key properties of N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane?
N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane has a molecular weight of 314.95 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethenyl)pent-4-enyl]-N-(2-methylpropyl)piperidin-4-amine;ethane is sourced from PubChem (CID 142906928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).