cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine

C13H23NO — CID 102647585

IUPACcycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCCCC1
InChIInChI=1S/C13H23NO/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h9,11,13H,1-8,10,14H2
InChIKeyBXHGGIFDPRCBTI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.98
Rot. Bonds2

About cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine

cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102647585) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102647585
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)C1CCCCCC1
InChIInChI=1S/C13H23NO/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h9,11,13H,1-8,10,14H2
InChIKeyBXHGGIFDPRCBTI-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653305
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113720519
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
2-(3-Ethyl-6-methylcyclohepten-1-yl)oxyethanamine
CID 138526720
(Z)-but-2-ene-1,4-diamine;ethane;(E)-10-ethyl-4-(2-ethylhexoxy)-7-methyltetradec-3-ene-2,5-diamine;2-methylpropane;(Z)-pent-2-ene-1,4-diamine;propane
CID 145629583
Cyclohepten-1-yl(oxan-4-yl)methanamine
CID 62905141
3-(Oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65172158
3-(Oxan-4-yl)cyclohex-2-en-1-amine
CID 65172307
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102647585) is cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)C1CCCCCC1.
What is the InChIKey of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is BXHGGIFDPRCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h9,11,13H,1-8,10,14H2.
What are the key properties of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine?
cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102647585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).