4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine

C18H30N2O — CID 79113027

IUPAC4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1ccc(COC)cc1)C1CCC(N)CC1
InChIInChI=1S/C18H30N2O/c1-3-12-20(18-10-8-17(19)9-11-18)13-15-4-6-16(7-5-15)14-21-2/h4-7,17-18H,3,8-14,19H2,1-2H3
InChIKeyMVUFJGBEPQLTKJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.31
Rot. Bonds7

About 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79113027) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79113027
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1ccc(COC)cc1)C1CCC(N)CC1
InChIInChI=1S/C18H30N2O/c1-3-12-20(18-10-8-17(19)9-11-18)13-15-4-6-16(7-5-15)14-21-2/h4-7,17-18H,3,8-14,19H2,1-2H3
InChIKeyMVUFJGBEPQLTKJ-UHFFFAOYSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine (CID 79113027) is 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(Cc1ccc(COC)cc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is MVUFJGBEPQLTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-12-20(18-10-8-17(19)9-11-18)13-15-4-6-16(7-5-15)14-21-2/h4-7,17-18H,3,8-14,19H2,1-2H3.
What are the key properties of 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79113027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).