N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine

C11H19NO — CID 167259867

IUPACN,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine
SMILESC/C=C\C1=C(NC)CCC(C)(C)O1
InChIInChI=1S/C11H19NO/c1-5-6-10-9(12-4)7-8-11(2,3)13-10/h5-6,12H,7-8H2,1-4H3/b6-5-
InChIKeyIXZNKIUTEFTAIG-WAYWQWQTSA-N
MW181.28 g/mol
LogP2.58
Rot. Bonds2

About N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine

N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine (PubChem CID 167259867) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine
PubChem CID167259867
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine
SMILESC/C=C\C1=C(NC)CCC(C)(C)O1
InChIInChI=1S/C11H19NO/c1-5-6-10-9(12-4)7-8-11(2,3)13-10/h5-6,12H,7-8H2,1-4H3/b6-5-
InChIKeyIXZNKIUTEFTAIG-WAYWQWQTSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine
CID 126645183
(2Z)-2-[4,5-bis(ethenyl)-2,2-dimethyl-3H-pyran-6-ylidene]pyrrolidine
CID 145138478

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine?
The IUPAC name of N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine (CID 167259867) is N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine.
What is the SMILES notation for N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine?
The canonical SMILES for N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine is C/C=C\C1=C(NC)CCC(C)(C)O1.
What is the InChIKey of N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine?
The InChIKey is IXZNKIUTEFTAIG-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-10-9(12-4)7-8-11(2,3)13-10/h5-6,12H,7-8H2,1-4H3/b6-5-.
What are the key properties of N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine?
N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine has a molecular weight of 181.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydropyran-5-amine is sourced from PubChem (CID 167259867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).