N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine

C16H28N2O — CID 2982204

IUPACN'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESCC1CCC(N(CCCN)Cc2ccco2)CC1C
InChIInChI=1S/C16H28N2O/c1-13-6-7-15(11-14(13)2)18(9-4-8-17)12-16-5-3-10-19-16/h3,5,10,13-15H,4,6-9,11-12,17H2,1-2H3
InChIKeyUDTRLIVLFCHUOX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.26
Rot. Bonds6

About N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine

N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 2982204) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID2982204
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
SMILESCC1CCC(N(CCCN)Cc2ccco2)CC1C
InChIInChI=1S/C16H28N2O/c1-13-6-7-15(11-14(13)2)18(9-4-8-17)12-16-5-3-10-19-16/h3,5,10,13-15H,4,6-9,11-12,17H2,1-2H3
InChIKeyUDTRLIVLFCHUOX-UHFFFAOYSA-N
XLogP3.26
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine (CID 2982204) is N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine is CC1CCC(N(CCCN)Cc2ccco2)CC1C.
What is the InChIKey of N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is UDTRLIVLFCHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-6-7-15(11-14(13)2)18(9-4-8-17)12-16-5-3-10-19-16/h3,5,10,13-15H,4,6-9,11-12,17H2,1-2H3.
What are the key properties of N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine?
N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylcyclohexyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 2982204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).