N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine

C15H32N2O — CID 103032971

IUPACN'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
SMILESCOC(C)(C)CCN(CCCN)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-15(2,18-3)10-13-17(12-7-11-16)14-8-5-4-6-9-14/h14H,4-13,16H2,1-3H3
InChIKeyYUSVOINHFBDQOF-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.79
Rot. Bonds8

About N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine

N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine (PubChem CID 103032971) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
PubChem CID103032971
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
SMILESCOC(C)(C)CCN(CCCN)C1CCCCC1
InChIInChI=1S/C15H32N2O/c1-15(2,18-3)10-13-17(12-7-11-16)14-8-5-4-6-9-14/h14H,4-13,16H2,1-3H3
InChIKeyYUSVOINHFBDQOF-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine (CID 103032971) is N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine is COC(C)(C)CCN(CCCN)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The InChIKey is YUSVOINHFBDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(2,18-3)10-13-17(12-7-11-16)14-8-5-4-6-9-14/h14H,4-13,16H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 103032971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).