(4-cycloheptyloxolan-3-yl)methanamine

C12H23NO — CID 84774594

IUPAC(4-cycloheptyloxolan-3-yl)methanamine
SMILESNCC1COCC1C1CCCCCC1
InChIInChI=1S/C12H23NO/c13-7-11-8-14-9-12(11)10-5-3-1-2-4-6-10/h10-12H,1-9,13H2
InChIKeyLCYVUMIXDHWUAQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds2

About (4-cycloheptyloxolan-3-yl)methanamine

(4-cycloheptyloxolan-3-yl)methanamine (PubChem CID 84774594) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4-cycloheptyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-cycloheptyloxolan-3-yl)methanamine
PubChem CID84774594
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4-cycloheptyloxolan-3-yl)methanamine
SMILESNCC1COCC1C1CCCCCC1
InChIInChI=1S/C12H23NO/c13-7-11-8-14-9-12(11)10-5-3-1-2-4-6-10/h10-12H,1-9,13H2
InChIKeyLCYVUMIXDHWUAQ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cycloheptyloxolan-3-amine
CID 84769198
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine
CID 84785633
(4-cyclopentylpyrrolidin-3-yl)methanamine
CID 82597822
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 55285236
azane;4-cyclohexyloxan-3-amine;hydrochloride
CID 67358979
(4-cyclohexyl-6-methylpiperidin-3-yl)methanamine
CID 82612569
10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141
[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine
CID 69411723
2-cyclohexylcycloheptan-1-amine
CID 62603079

Frequently Asked Questions

What is the IUPAC name of (4-cycloheptyloxolan-3-yl)methanamine?
The IUPAC name of (4-cycloheptyloxolan-3-yl)methanamine (CID 84774594) is (4-cycloheptyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-cycloheptyloxolan-3-yl)methanamine?
The canonical SMILES for (4-cycloheptyloxolan-3-yl)methanamine is NCC1COCC1C1CCCCCC1.
What is the InChIKey of (4-cycloheptyloxolan-3-yl)methanamine?
The InChIKey is LCYVUMIXDHWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-7-11-8-14-9-12(11)10-5-3-1-2-4-6-10/h10-12H,1-9,13H2.
What are the key properties of (4-cycloheptyloxolan-3-yl)methanamine?
(4-cycloheptyloxolan-3-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptyloxolan-3-yl)methanamine is sourced from PubChem (CID 84774594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).