N-(2-cycloundecylethyl)but-1-en-2-amine

C17H33N — CID 89191957

IUPACN-(2-cycloundecylethyl)but-1-en-2-amine
SMILESC=C(CC)NCCC1CCCCCCCCCC1
InChIInChI=1S/C17H33N/c1-3-16(2)18-15-14-17-12-10-8-6-4-5-7-9-11-13-17/h17-18H,2-15H2,1H3
InChIKeyCRUBVRNGLJLFNB-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.42
Rot. Bonds5

About N-(2-cycloundecylethyl)but-1-en-2-amine

N-(2-cycloundecylethyl)but-1-en-2-amine (PubChem CID 89191957) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-(2-cycloundecylethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(2-cycloundecylethyl)but-1-en-2-amine
PubChem CID89191957
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-(2-cycloundecylethyl)but-1-en-2-amine
SMILESC=C(CC)NCCC1CCCCCCCCCC1
InChIInChI=1S/C17H33N/c1-3-16(2)18-15-14-17-12-10-8-6-4-5-7-9-11-13-17/h17-18H,2-15H2,1H3
InChIKeyCRUBVRNGLJLFNB-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloundecylethyl)but-1-en-2-amine?
The IUPAC name of N-(2-cycloundecylethyl)but-1-en-2-amine (CID 89191957) is N-(2-cycloundecylethyl)but-1-en-2-amine.
What is the SMILES notation for N-(2-cycloundecylethyl)but-1-en-2-amine?
The canonical SMILES for N-(2-cycloundecylethyl)but-1-en-2-amine is C=C(CC)NCCC1CCCCCCCCCC1.
What is the InChIKey of N-(2-cycloundecylethyl)but-1-en-2-amine?
The InChIKey is CRUBVRNGLJLFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-16(2)18-15-14-17-12-10-8-6-4-5-7-9-11-13-17/h17-18H,2-15H2,1H3.
What are the key properties of N-(2-cycloundecylethyl)but-1-en-2-amine?
N-(2-cycloundecylethyl)but-1-en-2-amine has a molecular weight of 251.46 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloundecylethyl)but-1-en-2-amine is sourced from PubChem (CID 89191957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).