N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine

C10H17FN2 — CID 123514156

IUPACN'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNC1C=C(F)C=CC1
InChIInChI=1S/C10H17FN2/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h2-3,5,8,10,13H,4,6-7,12H2,1H3
InChIKeyVQEOIRXPRBDOLS-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.35
Rot. Bonds4

About N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine

N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine (PubChem CID 123514156) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine
PubChem CID123514156
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNC1C=C(F)C=CC1
InChIInChI=1S/C10H17FN2/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h2-3,5,8,10,13H,4,6-7,12H2,1H3
InChIKeyVQEOIRXPRBDOLS-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine (CID 123514156) is N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine is CC(CN)CNC1C=C(F)C=CC1.
What is the InChIKey of N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine?
The InChIKey is VQEOIRXPRBDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-8(6-12)7-13-10-4-2-3-9(11)5-10/h2-3,5,8,10,13H,4,6-7,12H2,1H3.
What are the key properties of N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine?
N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine has a molecular weight of 184.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorocyclohexa-2,4-dien-1-yl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 123514156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).