N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine

C12H26FN — CID 21355547

IUPACN-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)CF
InChIInChI=1S/C12H26FN/c1-9(2)6-12(7-10(3)4)14-11(5)8-13/h9-12,14H,6-8H2,1-5H3
InChIKeyQHNMVRPQACXXCO-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.39
Rot. Bonds7

About N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine

N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine (PubChem CID 21355547) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
PubChem CID21355547
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC NameN-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)CF
InChIInChI=1S/C12H26FN/c1-9(2)6-12(7-10(3)4)14-11(5)8-13/h9-12,14H,6-8H2,1-5H3
InChIKeyQHNMVRPQACXXCO-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine?
The IUPAC name of N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine (CID 21355547) is N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NC(C)CF.
What is the InChIKey of N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine?
The InChIKey is QHNMVRPQACXXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-9(2)6-12(7-10(3)4)14-11(5)8-13/h9-12,14H,6-8H2,1-5H3.
What are the key properties of N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine?
N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine has a molecular weight of 203.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 21355547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).