(Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine

C10H17N — CID 137470092

IUPAC(Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine
SMILESC/C=C\C(=C/C)[C@H](N)C1CC1
InChIInChI=1S/C10H17N/c1-3-5-8(4-2)10(11)9-6-7-9/h3-5,9-10H,6-7,11H2,1-2H3/b5-3-,8-4+/t10-/m0/s1
InChIKeyHEWJOQXJLXSNPD-PNWVOOHTSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds3

About (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine

(Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine (PubChem CID 137470092) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine
PubChem CID137470092
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine
SMILESC/C=C\C(=C/C)[C@H](N)C1CC1
InChIInChI=1S/C10H17N/c1-3-5-8(4-2)10(11)9-6-7-9/h3-5,9-10H,6-7,11H2,1-2H3/b5-3-,8-4+/t10-/m0/s1
InChIKeyHEWJOQXJLXSNPD-PNWVOOHTSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine?
The IUPAC name of (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine (CID 137470092) is (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine.
What is the SMILES notation for (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine?
The canonical SMILES for (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine is C/C=C\C(=C/C)[C@H](N)C1CC1.
What is the InChIKey of (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine?
The InChIKey is HEWJOQXJLXSNPD-PNWVOOHTSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-8(4-2)10(11)9-6-7-9/h3-5,9-10H,6-7,11H2,1-2H3/b5-3-,8-4+/t10-/m0/s1.
What are the key properties of (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine?
(Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,2E)-1-cyclopropyl-2-ethylidenepent-3-en-1-amine is sourced from PubChem (CID 137470092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).