N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine

C11H23F3N2 — CID 106045632

IUPACN'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-10(2)16(3)9-5-8-15-7-4-6-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyHFIPLRZUPFAMNU-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds8

About N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine

N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine (PubChem CID 106045632) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
PubChem CID106045632
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC NameN'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
SMILESCC(C)N(C)CCCNCCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-10(2)16(3)9-5-8-15-7-4-6-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyHFIPLRZUPFAMNU-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513417
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103033282
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine (CID 106045632) is N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine is CC(C)N(C)CCCNCCCC(F)(F)F.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
The InChIKey is HFIPLRZUPFAMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-10(2)16(3)9-5-8-15-7-4-6-11(12,13)14/h10,15H,4-9H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine?
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine is sourced from PubChem (CID 106045632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).