1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol

C15H30N2O — CID 79122134

IUPAC1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCNC1CCC(N(C)CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-16-13-6-8-14(9-7-13)17(2)12-15(18)10-4-3-5-11-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeySFSMIVLWHVUYRT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.14
Rot. Bonds4

About 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol

1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 79122134) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID79122134
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCNC1CCC(N(C)CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-16-13-6-8-14(9-7-13)17(2)12-15(18)10-4-3-5-11-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeySFSMIVLWHVUYRT-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 79122134) is 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol is CNC1CCC(N(C)CC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is SFSMIVLWHVUYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-16-13-6-8-14(9-7-13)17(2)12-15(18)10-4-3-5-11-15/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol?
1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79122134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).