N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine

C17H34FN — CID 91055953

IUPACN-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine
SMILESC=C(C(C)CN(C)C(C)CC)C(C)(F)C(C)C(C)C
InChIInChI=1S/C17H34FN/c1-10-14(5)19(9)11-13(4)16(7)17(8,18)15(6)12(2)3/h12-15H,7,10-11H2,1-6,8-9H3
InChIKeyYEDVYWYKUIBULR-UHFFFAOYSA-N
MW271.46 g/mol
LogP4.93
Rot. Bonds8

About N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine

N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine (PubChem CID 91055953) has the molecular formula C17H34FN and a molecular weight of 271.46 g/mol. Its IUPAC name is N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine
PubChem CID91055953
Molecular FormulaC17H34FN
Molecular Weight271.46 g/mol
Exact Mass271.27
IUPAC NameN-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine
SMILESC=C(C(C)CN(C)C(C)CC)C(C)(F)C(C)C(C)C
InChIInChI=1S/C17H34FN/c1-10-14(5)19(9)11-13(4)16(7)17(8,18)15(6)12(2)3/h12-15H,7,10-11H2,1-6,8-9H3
InChIKeyYEDVYWYKUIBULR-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine?
The IUPAC name of N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine (CID 91055953) is N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine.
What is the SMILES notation for N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine?
The canonical SMILES for N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine is C=C(C(C)CN(C)C(C)CC)C(C)(F)C(C)C(C)C.
What is the InChIKey of N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine?
The InChIKey is YEDVYWYKUIBULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34FN/c1-10-14(5)19(9)11-13(4)16(7)17(8,18)15(6)12(2)3/h12-15H,7,10-11H2,1-6,8-9H3.
What are the key properties of N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine?
N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine has a molecular weight of 271.46 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-fluoro-N,2,4,5,6-pentamethyl-3-methylideneheptan-1-amine is sourced from PubChem (CID 91055953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).