1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C18H31FN2 — CID 43111700

IUPAC1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCCCC(NCC(C(C)C)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-6-7-8-17(15-9-11-16(19)12-10-15)20-13-18(14(2)3)21(4)5/h9-12,14,17-18,20H,6-8,13H2,1-5H3
InChIKeyDRNMQPWOAXNPQO-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.23
Rot. Bonds9

About 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43111700) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43111700
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCCCC(NCC(C(C)C)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-6-7-8-17(15-9-11-16(19)12-10-15)20-13-18(14(2)3)21(4)5/h9-12,14,17-18,20H,6-8,13H2,1-5H3
InChIKeyDRNMQPWOAXNPQO-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
CID 62647610
1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
CID 103778683
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43111700) is 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CCCCC(NCC(C(C)C)N(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is DRNMQPWOAXNPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-7-8-17(15-9-11-16(19)12-10-15)20-13-18(14(2)3)21(4)5/h9-12,14,17-18,20H,6-8,13H2,1-5H3.
What are the key properties of 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43111700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).