(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine

C11H21FN2 — CID 121280768

IUPAC(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine
SMILESC/C=C(\C)C(C)N[C@@H](C)N/C=C\CF
InChIInChI=1S/C11H21FN2/c1-5-9(2)10(3)14-11(4)13-8-6-7-12/h5-6,8,10-11,13-14H,7H2,1-4H3/b8-6-,9-5+/t10?,11-/m0/s1
InChIKeyMDEFTULDDKBDOU-LJBWBDIKSA-N
MW200.30 g/mol
LogP2.35
Rot. Bonds6

About (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine

(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine (PubChem CID 121280768) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine.

Molecular Properties

Compound Name(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine
PubChem CID121280768
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine
SMILESC/C=C(\C)C(C)N[C@@H](C)N/C=C\CF
InChIInChI=1S/C11H21FN2/c1-5-9(2)10(3)14-11(4)13-8-6-7-12/h5-6,8,10-11,13-14H,7H2,1-4H3/b8-6-,9-5+/t10?,11-/m0/s1
InChIKeyMDEFTULDDKBDOU-LJBWBDIKSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine?
The IUPAC name of (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine (CID 121280768) is (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine.
What is the SMILES notation for (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine?
The canonical SMILES for (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine is C/C=C(\C)C(C)N[C@@H](C)N/C=C\CF.
What is the InChIKey of (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine?
The InChIKey is MDEFTULDDKBDOU-LJBWBDIKSA-N. The full InChI is InChI=1S/C11H21FN2/c1-5-9(2)10(3)14-11(4)13-8-6-7-12/h5-6,8,10-11,13-14H,7H2,1-4H3/b8-6-,9-5+/t10?,11-/m0/s1.
What are the key properties of (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine?
(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine has a molecular weight of 200.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine is sourced from PubChem (CID 121280768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).