1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine

C17H31F3N2 — CID 174329365

IUPAC1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine
SMILESC=C(CC(C)(C)C)NCC(NC(=C)CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C17H31F3N2/c1-12(9-15(3,4)5)21-11-14(17(18,19)20)22-13(2)10-16(6,7)8/h14,21-22H,1-2,9-11H2,3-8H3
InChIKeyZERFPWNQNFRPEV-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.00
Rot. Bonds7

About 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine

1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine (PubChem CID 174329365) has the molecular formula C17H31F3N2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine
PubChem CID174329365
Molecular FormulaC17H31F3N2
Molecular Weight320.44 g/mol
Exact Mass320.24
IUPAC Name1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine
SMILESC=C(CC(C)(C)C)NCC(NC(=C)CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C17H31F3N2/c1-12(9-15(3,4)5)21-11-14(17(18,19)20)22-13(2)10-16(6,7)8/h14,21-22H,1-2,9-11H2,3-8H3
InChIKeyZERFPWNQNFRPEV-UHFFFAOYSA-N
XLogP5.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine with MolForge

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
CID 129084034
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine
CID 134442061
N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine
CID 174197139
(3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine
CID 174197145
N'-(4,4-dimethylpent-1-en-2-yl)ethane-1,2-diamine
CID 126603357
1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine
CID 134187696
3-N,3-N,4,4-tetramethyl-2-N-propan-2-ylpent-1-ene-2,3-diamine
CID 137413172
3-N-(3,3-dimethylbut-1-en-2-yl)-2-N-(3,3-dimethylbutyl)-2-N,4-dimethylpent-1-ene-2,3-diamine
CID 137513508
(3R)-2-N,4,4-trimethylpent-1-ene-2,3-diamine
CID 137514978
1-N-(4,4-dimethylpent-1-en-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 138734225

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine (CID 174329365) is 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine is C=C(CC(C)(C)C)NCC(NC(=C)CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine?
The InChIKey is ZERFPWNQNFRPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N2/c1-12(9-15(3,4)5)21-11-14(17(18,19)20)22-13(2)10-16(6,7)8/h14,21-22H,1-2,9-11H2,3-8H3.
What are the key properties of 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine?
1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine has a molecular weight of 320.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine is sourced from PubChem (CID 174329365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).