(Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine

C10H22FN3 — CID 166168786

IUPAC(Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine
SMILESC/C(N)=C/N(N)CCCCCCCF
InChIInChI=1S/C10H22FN3/c1-10(12)9-14(13)8-6-4-2-3-5-7-11/h9H,2-8,12-13H2,1H3/b10-9-
InChIKeyKRJKTOLZCZJLEV-KTKRTIGZSA-N
MW203.30 g/mol
LogP1.90
Rot. Bonds8

About (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine

(Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine (PubChem CID 166168786) has the molecular formula C10H22FN3 and a molecular weight of 203.30 g/mol. Its IUPAC name is (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine
PubChem CID166168786
Molecular FormulaC10H22FN3
Molecular Weight203.30 g/mol
Exact Mass203.18
IUPAC Name(Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine
SMILESC/C(N)=C/N(N)CCCCCCCF
InChIInChI=1S/C10H22FN3/c1-10(12)9-14(13)8-6-4-2-3-5-7-11/h9H,2-8,12-13H2,1H3/b10-9-
InChIKeyKRJKTOLZCZJLEV-KTKRTIGZSA-N
XLogP1.90
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine (CID 166168786) is (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine is C/C(N)=C/N(N)CCCCCCCF.
What is the InChIKey of (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine?
The InChIKey is KRJKTOLZCZJLEV-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H22FN3/c1-10(12)9-14(13)8-6-4-2-3-5-7-11/h9H,2-8,12-13H2,1H3/b10-9-.
What are the key properties of (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine?
(Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine has a molecular weight of 203.30 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(7-fluoroheptyl)amino]prop-1-en-2-amine is sourced from PubChem (CID 166168786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).