3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine

C15H32I2N2 — CID 129157129

IUPAC3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine
SMILESCC(C)N(C)CCC(CI)(CI)CCN(C)C(C)C
InChIInChI=1S/C15H32I2N2/c1-13(2)18(5)9-7-15(11-16,12-17)8-10-19(6)14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyZCBPQPQGLIYKJQ-UHFFFAOYSA-N
MW494.24 g/mol
LogP4.30
Rot. Bonds10

About 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine

3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine (PubChem CID 129157129) has the molecular formula C15H32I2N2 and a molecular weight of 494.24 g/mol. Its IUPAC name is 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine
PubChem CID129157129
Molecular FormulaC15H32I2N2
Molecular Weight494.24 g/mol
Exact Mass494.07
IUPAC Name3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine
SMILESCC(C)N(C)CCC(CI)(CI)CCN(C)C(C)C
InChIInChI=1S/C15H32I2N2/c1-13(2)18(5)9-7-15(11-16,12-17)8-10-19(6)14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyZCBPQPQGLIYKJQ-UHFFFAOYSA-N
XLogP4.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine?
The IUPAC name of 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine (CID 129157129) is 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine?
The canonical SMILES for 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine is CC(C)N(C)CCC(CI)(CI)CCN(C)C(C)C.
What is the InChIKey of 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine?
The InChIKey is ZCBPQPQGLIYKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32I2N2/c1-13(2)18(5)9-7-15(11-16,12-17)8-10-19(6)14(3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine?
3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine has a molecular weight of 494.24 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(iodomethyl)-N,N'-dimethyl-N,N'-di(propan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 129157129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).