(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine

C15H27N3O — CID 143680515

IUPAC(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine
SMILESCCCC1=CNC/C1=C\C(=C/N)OCCCNCC
InChIInChI=1S/C15H27N3O/c1-3-6-13-11-18-12-14(13)9-15(10-16)19-8-5-7-17-4-2/h9-11,17-18H,3-8,12,16H2,1-2H3/b14-9+,15-10+
InChIKeySKRZRRNCCQNTOK-AOEKMSOUSA-N
MW265.40 g/mol
LogP2.02
Rot. Bonds9

About (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine

(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine (PubChem CID 143680515) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine.

Molecular Properties

Compound Name(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine
PubChem CID143680515
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine
SMILESCCCC1=CNC/C1=C\C(=C/N)OCCCNCC
InChIInChI=1S/C15H27N3O/c1-3-6-13-11-18-12-14(13)9-15(10-16)19-8-5-7-17-4-2/h9-11,17-18H,3-8,12,16H2,1-2H3/b14-9+,15-10+
InChIKeySKRZRRNCCQNTOK-AOEKMSOUSA-N
XLogP2.02
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-[(6E)-4-piperidin-4-yloxy-5-prop-1-en-2-yl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 89147944
(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine
CID 143826661
2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
CID 170396915
7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole
CID 176925071

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine?
The IUPAC name of (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine (CID 143680515) is (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine.
What is the SMILES notation for (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine?
The canonical SMILES for (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine is CCCC1=CNC/C1=C\C(=C/N)OCCCNCC.
What is the InChIKey of (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine?
The InChIKey is SKRZRRNCCQNTOK-AOEKMSOUSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-6-13-11-18-12-14(13)9-15(10-16)19-8-5-7-17-4-2/h9-11,17-18H,3-8,12,16H2,1-2H3/b14-9+,15-10+.
What are the key properties of (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine?
(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine is sourced from PubChem (CID 143680515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).