N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine

C16H27FN2 — CID 106707877

IUPACN'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
SMILESCN(CCCCC(C)(C)CN)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-16(2,13-18)9-4-5-10-19(3)12-14-7-6-8-15(17)11-14/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3
InChIKeyMXTMONHYBCWXHA-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.41
Rot. Bonds8

About N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine

N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine (PubChem CID 106707877) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
PubChem CID106707877
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
SMILESCN(CCCCC(C)(C)CN)Cc1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-16(2,13-18)9-4-5-10-19(3)12-14-7-6-8-15(17)11-14/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3
InChIKeyMXTMONHYBCWXHA-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710715
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 54966073
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N-(3-amino-2,2-dimethylpropyl)-1-(3-fluorophenyl)-N-methylmethanesulfonamide
CID 119991549
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)pentane-1,5-diamine
CID 65254292
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 63945546
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine (CID 106707877) is N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine is CN(CCCCC(C)(C)CN)Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine?
The InChIKey is MXTMONHYBCWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-16(2,13-18)9-4-5-10-19(3)12-14-7-6-8-15(17)11-14/h6-8,11H,4-5,9-10,12-13,18H2,1-3H3.
What are the key properties of N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine?
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine is sourced from PubChem (CID 106707877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).