2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

C14H25NO — CID 102649080

IUPAC2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CCCCCC1)C1=CCCCO1
InChIInChI=1S/C14H25NO/c15-13(14-9-5-6-10-16-14)11-12-7-3-1-2-4-8-12/h9,12-13H,1-8,10-11,15H2
InChIKeySBNYWCLJWGTLKZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.37
Rot. Bonds3

About 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine

2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (PubChem CID 102649080) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
PubChem CID102649080
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine
SMILESNC(CC1CCCCCC1)C1=CCCCO1
InChIInChI=1S/C14H25NO/c15-13(14-9-5-6-10-16-14)11-12-7-3-1-2-4-8-12/h9,12-13H,1-8,10-11,15H2
InChIKeySBNYWCLJWGTLKZ-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine (CID 102649080) is 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is NC(CC1CCCCCC1)C1=CCCCO1.
What is the InChIKey of 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
The InChIKey is SBNYWCLJWGTLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-13(14-9-5-6-10-16-14)11-12-7-3-1-2-4-8-12/h9,12-13H,1-8,10-11,15H2.
What are the key properties of 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine?
2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanamine is sourced from PubChem (CID 102649080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).