(2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine

C14H26N2O2 — CID 102375983

IUPAC(2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine
SMILESC=C=C(OC)[C@@H](NN1CCC[C@H]1COC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-6-13(18-5)14(11(2)3)15-16-9-7-8-12(16)10-17-4/h11-12,14-15H,1,7-10H2,2-5H3/t12-,14-/m0/s1
InChIKeyRGPMOYVSHHKMKT-JSGCOSHPSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds7

About (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine

(2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine (PubChem CID 102375983) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine
PubChem CID102375983
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine
SMILESC=C=C(OC)[C@@H](NN1CCC[C@H]1COC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-6-13(18-5)14(11(2)3)15-16-9-7-8-12(16)10-17-4/h11-12,14-15H,1,7-10H2,2-5H3/t12-,14-/m0/s1
InChIKeyRGPMOYVSHHKMKT-JSGCOSHPSA-N
XLogP1.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine?
The IUPAC name of (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine (CID 102375983) is (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine is C=C=C(OC)[C@@H](NN1CCC[C@H]1COC)C(C)C.
What is the InChIKey of (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine?
The InChIKey is RGPMOYVSHHKMKT-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-13(18-5)14(11(2)3)15-16-9-7-8-12(16)10-17-4/h11-12,14-15H,1,7-10H2,2-5H3/t12-,14-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine?
(2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine has a molecular weight of 254.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-N-[(3S)-4-methoxy-2-methylhexa-4,5-dien-3-yl]pyrrolidin-1-amine is sourced from PubChem (CID 102375983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).