4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine

C11H17NO — CID 130741190

IUPAC4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine
SMILESNC1CC=C(C2=COCCC2)CC1
InChIInChI=1S/C11H17NO/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3,8,11H,1-2,4-7,12H2
InChIKeyIEHYWFTYTYUVOA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.12
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine

4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine (PubChem CID 130741190) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine
PubChem CID130741190
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine
SMILESNC1CC=C(C2=COCCC2)CC1
InChIInChI=1S/C11H17NO/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3,8,11H,1-2,4-7,12H2
InChIKeyIEHYWFTYTYUVOA-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhexa-2,4-dien-1-amine
CID 121373944
6-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
5,6,7,8-tetrahydro-1H-isochromen-5-amine
CID 70590430
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethanamine
CID 91214374
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
(E,6E)-6-[3-(3,4-dihydro-2H-pyran-5-yl)cyclohex-2-en-1-ylidene]-3-methylhex-2-en-1-amine
CID 146568600
Ethane;6-methoxy-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155703717
1-(3,4-dihydro-2H-pyran-5-yl)butan-2-amine
CID 55253626
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
3-(3-Ethoxypropyl)cyclohex-2-en-1-amine
CID 65178069

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine (CID 130741190) is 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine is NC1CC=C(C2=COCCC2)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine?
The InChIKey is IEHYWFTYTYUVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3,8,11H,1-2,4-7,12H2.
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine?
4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 130741190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).