N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine

C20H37F7N2 — CID 142528808

IUPACN-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine
SMILESCC(C)CCCNCC(F)(F)C(F)(F)F.CCCCCNCC(F)(F)C1CCC1
InChIInChI=1S/C11H21F2N.C9H16F5N/c1-2-3-4-8-14-9-11(12,13)10-6-5-7-10;1-7(2)4-3-5-15-6-8(10,11)9(12,13)14/h10,14H,2-9H2,1H3;7,15H,3-6H2,1-2H3
InChIKeyNAIKRVZOPMSNQP-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.41
Rot. Bonds13

About N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine

N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine (PubChem CID 142528808) has the molecular formula C20H37F7N2 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine
PubChem CID142528808
Molecular FormulaC20H37F7N2
Molecular Weight438.52 g/mol
Exact Mass438.28
IUPAC NameN-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine
SMILESCC(C)CCCNCC(F)(F)C(F)(F)F.CCCCCNCC(F)(F)C1CCC1
InChIInChI=1S/C11H21F2N.C9H16F5N/c1-2-3-4-8-14-9-11(12,13)10-6-5-7-10;1-7(2)4-3-5-15-6-8(10,11)9(12,13)14/h10,14H,2-9H2,1H3;7,15H,3-6H2,1-2H3
InChIKeyNAIKRVZOPMSNQP-UHFFFAOYSA-N
XLogP6.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine
CID 87730183
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
4-cyclobutyl-4,4-difluoro-N-methylbutan-2-amine
CID 105436988
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine?
The IUPAC name of N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine (CID 142528808) is N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine.
What is the SMILES notation for N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine?
The canonical SMILES for N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine is CC(C)CCCNCC(F)(F)C(F)(F)F.CCCCCNCC(F)(F)C1CCC1.
What is the InChIKey of N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine?
The InChIKey is NAIKRVZOPMSNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N.C9H16F5N/c1-2-3-4-8-14-9-11(12,13)10-6-5-7-10;1-7(2)4-3-5-15-6-8(10,11)9(12,13)14/h10,14H,2-9H2,1H3;7,15H,3-6H2,1-2H3.
What are the key properties of N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine?
N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine has a molecular weight of 438.52 g/mol, XLogP of 6.41, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine is sourced from PubChem (CID 142528808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).