N-(1,1-difluoropropan-2-yl)heptan-2-amine

C10H21F2N — CID 102868275

IUPACN-(1,1-difluoropropan-2-yl)heptan-2-amine
SMILESCCCCCC(C)NC(C)C(F)F
InChIInChI=1S/C10H21F2N/c1-4-5-6-7-8(2)13-9(3)10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyPKMYORMAVNDXFM-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.20
Rot. Bonds7

About N-(1,1-difluoropropan-2-yl)heptan-2-amine

N-(1,1-difluoropropan-2-yl)heptan-2-amine (PubChem CID 102868275) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)heptan-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)heptan-2-amine
PubChem CID102868275
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC NameN-(1,1-difluoropropan-2-yl)heptan-2-amine
SMILESCCCCCC(C)NC(C)C(F)F
InChIInChI=1S/C10H21F2N/c1-4-5-6-7-8(2)13-9(3)10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyPKMYORMAVNDXFM-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecan-2-yltetradecan-2-amine
CID 20841578
4-N-(1,1-difluoropropan-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 102867785
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
N-heptan-4-ylheptan-2-amine
CID 43572732
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-(pentadecan-2-ylamino)ethanol
CID 90985657
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
N-fluorooctan-2-amine
CID 88597566
1-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)heptan-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)heptan-2-amine (CID 102868275) is N-(1,1-difluoropropan-2-yl)heptan-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)heptan-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)heptan-2-amine is CCCCCC(C)NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)heptan-2-amine?
The InChIKey is PKMYORMAVNDXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-4-5-6-7-8(2)13-9(3)10(11)12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)heptan-2-amine?
N-(1,1-difluoropropan-2-yl)heptan-2-amine has a molecular weight of 193.28 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)heptan-2-amine is sourced from PubChem (CID 102868275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).