1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine

C13H29FN2 — CID 139882033

IUPAC1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
SMILESCC(C)N(C(C)C)C(F)N(C(C)C)C(C)C
InChIInChI=1S/C13H29FN2/c1-9(2)15(10(3)4)13(14)16(11(5)6)12(7)8/h9-13H,1-8H3
InChIKeyGIBJVLQRYVASDB-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.48
Rot. Bonds6

About 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine

1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine (PubChem CID 139882033) has the molecular formula C13H29FN2 and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine.

Molecular Properties

Compound Name1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
PubChem CID139882033
Molecular FormulaC13H29FN2
Molecular Weight232.39 g/mol
Exact Mass232.23
IUPAC Name1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
SMILESCC(C)N(C(C)C)C(F)N(C(C)C)C(C)C
InChIInChI=1S/C13H29FN2/c1-9(2)15(10(3)4)13(14)16(11(5)6)12(7)8/h9-13H,1-8H3
InChIKeyGIBJVLQRYVASDB-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-N,N-di(propan-2-yl)propan-2-amine
CID 176685681
N,N-di(propan-2-yl)propan-2-amine;hydrate
CID 173081552
1,1-difluoroethane
CID 6368
1-[1-hydroxyethyl(propan-2-yl)amino]ethanol
CID 57090083
fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate
CID 174491037
N-[1-[1-[di(propan-2-yl)amino]ethoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 19822699
N-(1-phosphanylethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
CID 174657349
gold;trifluoro(methyl)phosphanium
CID 158866075
N,N-di(propan-2-yl)propan-2-amine;N-methylmethanimine;2-methylpropane
CID 123192010
N-[1-[dimethyl(silyl)silyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 174482806
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
N-(1-dichlorosilylethyl)-N-propan-2-ylpropan-2-amine
CID 174721023

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine?
The IUPAC name of 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine (CID 139882033) is 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine.
What is the SMILES notation for 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine?
The canonical SMILES for 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine is CC(C)N(C(C)C)C(F)N(C(C)C)C(C)C.
What is the InChIKey of 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine?
The InChIKey is GIBJVLQRYVASDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29FN2/c1-9(2)15(10(3)4)13(14)16(11(5)6)12(7)8/h9-13H,1-8H3.
What are the key properties of 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine?
1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine has a molecular weight of 232.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine is sourced from PubChem (CID 139882033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).