N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine

C12H20N2O — CID 134976057

IUPACN-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOCC1CCCN1NC1=CCCC=C1
InChIInChI=1S/C12H20N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h3,6-7,12-13H,2,4-5,8-10H2,1H3
InChIKeyGOJBWEWLFOYKKI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.84
Rot. Bonds4

About N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine

N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 134976057) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID134976057
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOCC1CCCN1NC1=CCCC=C1
InChIInChI=1S/C12H20N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h3,6-7,12-13H,2,4-5,8-10H2,1H3
InChIKeyGOJBWEWLFOYKKI-UHFFFAOYSA-N
XLogP1.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lithium cyclohexa-1,5-dien-1-yl-[2-(methoxymethyl)pyrrolidin-1-yl]azanide
CID 134976056
(2S)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
CID 10520541
(2R)-N-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidin-1-amine
CID 90912074
(5R)-N-cyclohexa-1,5-dien-1-yl-5-(methoxymethyl)pyrrolidin-3-amine
CID 141079639
(2S)-N-[(E)-hept-3-en-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 10521636
(2S)-2-(methoxymethyl)-N-(5-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-1-amine
CID 15968905
lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methylcyclohexa-1,5-dien-1-yl)azanide
CID 23691350

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine (CID 134976057) is N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine is COCC1CCCN1NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is GOJBWEWLFOYKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h3,6-7,12-13H,2,4-5,8-10H2,1H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine?
N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 134976057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).