N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine

C9H20F2N2 — CID 58199556

IUPACN-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(CCCN(F)F)CC(C)C
InChIInChI=1S/C9H20F2N2/c1-4-12(8-9(2)3)6-5-7-13(10)11/h9H,4-8H2,1-3H3
InChIKeySYSCMQLBDZQSND-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.43
Rot. Bonds7

About N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine

N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 58199556) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID58199556
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC NameN-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(CCCN(F)F)CC(C)C
InChIInChI=1S/C9H20F2N2/c1-4-12(8-9(2)3)6-5-7-13(10)11/h9H,4-8H2,1-3H3
InChIKeySYSCMQLBDZQSND-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 14642707
1,3-Propanediamine, N1,N1,N3,N3,2-pentamethyl-
CID 106228
N,N,N',N'-tetramethyl-2-(trifluoromethyl)propane-1,3-diamine
CID 123155781
N,N-bis(2-fluoroethyl)-2-methylpropan-1-amine
CID 126657385
2-[(Dimethylamino)methyl]-N1,N1,N3,N3-tetramethyl-1,3-propanediamine
CID 547455
(2R)-N'-fluoro-N,N,N',2-tetramethylpropane-1,3-diamine
CID 164861996
N,N,N',N'-tetraethyl-2-methylpropane-1,3-diamine
CID 22075519
N,N,N'-triethyl-N',2-dimethylpropane-1,3-diamine
CID 57695017
[3-[Diethyl(methyl)azaniumyl]-2-methylpropyl]-diethyl-methylazanium
CID 57695020
N-butyl-N,N'-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 57931680
Trimethyl-[2-methyl-3-(trimethylazaniumyl)propyl]azanium
CID 58455734
N-butyl-N,N',N',2-tetramethylpropane-1,3-diamine
CID 59193160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine (CID 58199556) is N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine is CCN(CCCN(F)F)CC(C)C.
What is the InChIKey of N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is SYSCMQLBDZQSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2/c1-4-12(8-9(2)3)6-5-7-13(10)11/h9H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine?
N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 194.27 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 58199556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).