N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine

C14H30N2 — CID 65232760

IUPACN'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC1CCC(N(C)CC(CN)C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)13(9-15)10-16(4)14-7-5-12(3)6-8-14/h11-14H,5-10,15H2,1-4H3
InChIKeyVGUZPTXPNDSJLN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds5

About N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine

N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65232760) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID65232760
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC1CCC(N(C)CC(CN)C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)13(9-15)10-16(4)14-7-5-12(3)6-8-14/h11-14H,5-10,15H2,1-4H3
InChIKeyVGUZPTXPNDSJLN-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine (CID 65232760) is N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine is CC1CCC(N(C)CC(CN)C(C)C)CC1.
What is the InChIKey of N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VGUZPTXPNDSJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)13(9-15)10-16(4)14-7-5-12(3)6-8-14/h11-14H,5-10,15H2,1-4H3.
What are the key properties of N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65232760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).