1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

C14H30N4 — CID 83011867

IUPAC1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCC1CCCC(C(CN)NN2CCN(C)CC2)C1
InChIInChI=1S/C14H30N4/c1-12-4-3-5-13(10-12)14(11-15)16-18-8-6-17(2)7-9-18/h12-14,16H,3-11,15H2,1-2H3
InChIKeyUBLLDMKQNYBVCN-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.89
Rot. Bonds4

About 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (PubChem CID 83011867) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
PubChem CID83011867
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCC1CCCC(C(CN)NN2CCN(C)CC2)C1
InChIInChI=1S/C14H30N4/c1-12-4-3-5-13(10-12)14(11-15)16-18-8-6-17(2)7-9-18/h12-14,16H,3-11,15H2,1-2H3
InChIKeyUBLLDMKQNYBVCN-UHFFFAOYSA-N
XLogP0.89
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (CID 83011867) is 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is CC1CCCC(C(CN)NN2CCN(C)CC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The InChIKey is UBLLDMKQNYBVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-12-4-3-5-13(10-12)14(11-15)16-18-8-6-17(2)7-9-18/h12-14,16H,3-11,15H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).