N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C17H34N2 — CID 55081632

IUPACN-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCC1N1CCC(CNCC(C)C)C1
InChIInChI=1S/C17H34N2/c1-4-16-7-5-6-8-17(16)19-10-9-15(13-19)12-18-11-14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyYGCJYKXNIFXSSE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds6

About N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55081632) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID55081632
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCC1N1CCC(CNCC(C)C)C1
InChIInChI=1S/C17H34N2/c1-4-16-7-5-6-8-17(16)19-10-9-15(13-19)12-18-11-14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyYGCJYKXNIFXSSE-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 55081632) is N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CCC1CCCCC1N1CCC(CNCC(C)C)C1.
What is the InChIKey of N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YGCJYKXNIFXSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-16-7-5-6-8-17(16)19-10-9-15(13-19)12-18-11-14(2)3/h14-18H,4-13H2,1-3H3.
What are the key properties of N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55081632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).