ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine

C14H28N4O — CID 144979387

IUPACethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC=NC1=C(N(CC)CN2CCOCC2)CNC1.CC
InChIInChI=1S/C12H22N4O.C2H6/c1-3-16(10-15-4-6-17-7-5-15)12-9-14-8-11(12)13-2;1-2/h14H,2-10H2,1H3;1-2H3
InChIKeyYAURPGQRUKZNTR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.14
Rot. Bonds5

About ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine

ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine (PubChem CID 144979387) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine.

Molecular Properties

Compound Nameethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine
PubChem CID144979387
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Nameethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine
SMILESC=NC1=C(N(CC)CN2CCOCC2)CNC1.CC
InChIInChI=1S/C12H22N4O.C2H6/c1-3-16(10-15-4-6-17-7-5-15)12-9-14-8-11(12)13-2;1-2/h14H,2-10H2,1H3;1-2H3
InChIKeyYAURPGQRUKZNTR-UHFFFAOYSA-N
XLogP1.14
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The IUPAC name of ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine (CID 144979387) is ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine.
What is the SMILES notation for ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The canonical SMILES for ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine is C=NC1=C(N(CC)CN2CCOCC2)CNC1.CC.
What is the InChIKey of ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
The InChIKey is YAURPGQRUKZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.C2H6/c1-3-16(10-15-4-6-17-7-5-15)12-9-14-8-11(12)13-2;1-2/h14H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine?
ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine has a molecular weight of 268.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-(methylideneamino)-N-(morpholin-4-ylmethyl)-2,5-dihydro-1H-pyrrol-3-amine is sourced from PubChem (CID 144979387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).