N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine

C18H34N2O — CID 75401952

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine
SMILESC1CCCC(NCC2(N3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-2-5-9-17(8-4-1)19-16-18(10-6-3-7-11-18)20-12-14-21-15-13-20/h17,19H,1-16H2
InChIKeyLDONBDYHJSXOMU-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.33
Rot. Bonds4

About N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine

N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine (PubChem CID 75401952) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine
PubChem CID75401952
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine
SMILESC1CCCC(NCC2(N3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C18H34N2O/c1-2-5-9-17(8-4-1)19-16-18(10-6-3-7-11-18)20-12-14-21-15-13-20/h17,19H,1-16H2
InChIKeyLDONBDYHJSXOMU-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine (CID 75401952) is N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine is C1CCCC(NCC2(N3CCOCC3)CCCCC2)CC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine?
The InChIKey is LDONBDYHJSXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-5-9-17(8-4-1)19-16-18(10-6-3-7-11-18)20-12-14-21-15-13-20/h17,19H,1-16H2.
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine?
N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine has a molecular weight of 294.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine is sourced from PubChem (CID 75401952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).