N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine

C17H30N2 — CID 70645889

IUPACN-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
SMILESC=C(CC)NC(C(=C)N1CCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2/c1-4-14(2)18-17(16-10-6-5-7-11-16)15(3)19-12-8-9-13-19/h16-18H,2-13H2,1H3
InChIKeyGAMYXNATIUBYMN-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.06
Rot. Bonds6

About N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine

N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine (PubChem CID 70645889) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
PubChem CID70645889
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
SMILESC=C(CC)NC(C(=C)N1CCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2/c1-4-14(2)18-17(16-10-6-5-7-11-16)15(3)19-12-8-9-13-19/h16-18H,2-13H2,1H3
InChIKeyGAMYXNATIUBYMN-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
The IUPAC name of N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine (CID 70645889) is N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine.
What is the SMILES notation for N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
The canonical SMILES for N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine is C=C(CC)NC(C(=C)N1CCCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
The InChIKey is GAMYXNATIUBYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-14(2)18-17(16-10-6-5-7-11-16)15(3)19-12-8-9-13-19/h16-18H,2-13H2,1H3.
What are the key properties of N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine?
N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine has a molecular weight of 262.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine is sourced from PubChem (CID 70645889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).