(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine

C12H22N2O — CID 10520541

IUPAC(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1NC1=CCCCC1
InChIInChI=1S/C12H22N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h6,12-13H,2-5,7-10H2,1H3/t12-/m0/s1
InChIKeyHJSWRUCCPOZKFA-LBPRGKRZSA-N
MW210.32 g/mol
LogP2.06
Rot. Bonds4

About (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine

(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 10520541) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID10520541
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1NC1=CCCCC1
InChIInChI=1S/C12H22N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h6,12-13H,2-5,7-10H2,1H3/t12-/m0/s1
InChIKeyHJSWRUCCPOZKFA-LBPRGKRZSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine (CID 10520541) is (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine is COC[C@@H]1CCCN1NC1=CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is HJSWRUCCPOZKFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h6,12-13H,2-5,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine?
(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 10520541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).