trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol

C8H17NO — CID 2725084

IUPACtrans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol
SMILESNC[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C8H17NO/c9-6-7-4-2-1-3-5-8(7)10/h7-8,10H,1-6,9H2/t7-,8-/m0/s1
InChIKeyDEEDWZHOSLMVCD-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds1

About trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol

trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol (PubChem CID 2725084) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol
PubChem CID2725084
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol
SMILESNC[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C8H17NO/c9-6-7-4-2-1-3-5-8(7)10/h7-8,10H,1-6,9H2/t7-,8-/m0/s1
InChIKeyDEEDWZHOSLMVCD-YUMQZZPRSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol (CID 2725084) is trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol is NC[C@@H]1CCCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol?
The InChIKey is DEEDWZHOSLMVCD-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c9-6-7-4-2-1-3-5-8(7)10/h7-8,10H,1-6,9H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol?
trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(aminomethyl)cycloheptan-1-ol is sourced from PubChem (CID 2725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).