1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine

C27H40FN7 — CID 165139211

IUPAC1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine
SMILESC=C(NCc1cccnc1)C1CCCN1C.C=CC/C(=C/N)NN.NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H19N3.C9H10FN.C5H11N3/c1-11(13-6-4-8-16(13)2)15-10-12-5-3-7-14-9-12;10-8-4-2-1-3-7(8)9(11)5-6-9;1-2-3-5(4-6)8-7/h3,5,7,9,13,15H,1,4,6,8,10H2,2H3;1-4H,5-6,11H2;2,4,8H,1,3,6-7H2/b;;5-4-
InChIKeyBAOSFAQHAAVFRO-GDUSTKMHSA-N
MW481.66 g/mol
LogP3.38
Rot. Bonds8

About 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine

1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine (PubChem CID 165139211) has the molecular formula C27H40FN7 and a molecular weight of 481.66 g/mol. Its IUPAC name is 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine
PubChem CID165139211
Molecular FormulaC27H40FN7
Molecular Weight481.66 g/mol
Exact Mass481.33
IUPAC Name1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine
SMILESC=C(NCc1cccnc1)C1CCCN1C.C=CC/C(=C/N)NN.NC1(c2ccccc2F)CC1
InChIInChI=1S/C13H19N3.C9H10FN.C5H11N3/c1-11(13-6-4-8-16(13)2)15-10-12-5-3-7-14-9-12;10-8-4-2-1-3-7(8)9(11)5-6-9;1-2-3-5(4-6)8-7/h3,5,7,9,13,15H,1,4,6,8,10H2,2H3;1-4H,5-6,11H2;2,4,8H,1,3,6-7H2/b;;5-4-
InChIKeyBAOSFAQHAAVFRO-GDUSTKMHSA-N
XLogP3.38
TPSA118.25 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 53.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine?
The IUPAC name of 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine (CID 165139211) is 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine.
What is the SMILES notation for 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine?
The canonical SMILES for 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine is C=C(NCc1cccnc1)C1CCCN1C.C=CC/C(=C/N)NN.NC1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine?
The InChIKey is BAOSFAQHAAVFRO-GDUSTKMHSA-N. The full InChI is InChI=1S/C13H19N3.C9H10FN.C5H11N3/c1-11(13-6-4-8-16(13)2)15-10-12-5-3-7-14-9-12;10-8-4-2-1-3-7(8)9(11)5-6-9;1-2-3-5(4-6)8-7/h3,5,7,9,13,15H,1,4,6,8,10H2,2H3;1-4H,5-6,11H2;2,4,8H,1,3,6-7H2/b;;5-4-.
What are the key properties of 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine?
1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine has a molecular weight of 481.66 g/mol, XLogP of 3.38, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)cyclopropan-1-amine;(1Z)-2-hydrazinylpenta-1,4-dien-1-amine;1-(1-methylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)ethenamine is sourced from PubChem (CID 165139211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).