1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine

C14H27N3 — CID 70308122

IUPAC1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine
SMILESCN1CCN(CC2(N)CCCCC2)CC12CC2
InChIInChI=1S/C14H27N3/c1-16-9-10-17(12-14(16)7-8-14)11-13(15)5-3-2-4-6-13/h2-12,15H2,1H3
InChIKeyHBGCCVHDRUAXRP-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.43
Rot. Bonds2

About 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine

1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine (PubChem CID 70308122) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine
PubChem CID70308122
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine
SMILESCN1CCN(CC2(N)CCCCC2)CC12CC2
InChIInChI=1S/C14H27N3/c1-16-9-10-17(12-14(16)7-8-14)11-13(15)5-3-2-4-6-13/h2-12,15H2,1H3
InChIKeyHBGCCVHDRUAXRP-UHFFFAOYSA-N
XLogP1.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine (CID 70308122) is 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine is CN1CCN(CC2(N)CCCCC2)CC12CC2.
What is the InChIKey of 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine?
The InChIKey is HBGCCVHDRUAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-16-9-10-17(12-14(16)7-8-14)11-13(15)5-3-2-4-6-13/h2-12,15H2,1H3.
What are the key properties of 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine?
1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 70308122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).