N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine

C11H17NO — CID 67907519

IUPACN,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine
SMILESC=CCN(CC=C)C1CC=CCO1
InChIInChI=1S/C11H17NO/c1-3-8-12(9-4-2)11-7-5-6-10-13-11/h3-6,11H,1-2,7-10H2
InChIKeySDOGYCRQHHQGHP-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.96
Rot. Bonds5

About N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine

N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine (PubChem CID 67907519) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine
PubChem CID67907519
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine
SMILESC=CCN(CC=C)C1CC=CCO1
InChIInChI=1S/C11H17NO/c1-3-8-12(9-4-2)11-7-5-6-10-13-11/h3-6,11H,1-2,7-10H2
InChIKeySDOGYCRQHHQGHP-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine
CID 59941291
1-butan-2-yloxy-N,N-dipropylcyclohexa-2,4-dien-1-amine
CID 70583339
(Z)-5-methoxy-N,N-dimethylpent-3-en-1-amine
CID 89190553
1-(3,6-dihydro-2H-pyran-2-yl)piperidine
CID 90897325
4-cyclohexa-1,4-dien-1-yloxy-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 91099808
N,N-dimethyl-3,6-dihydro-2H-pyran-2-amine
CID 121271668
6-ethoxy-1-methyl-3,6-dihydro-2H-pyridine
CID 142630305
(Z)-N-ethyl-N-methyl-1-pentan-3-yloxypent-2-en-1-amine
CID 156227003
(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine
CID 156566763
(E)-5-methoxy-N,N-dimethylpent-3-en-1-amine
CID 166041235
(Z)-N-ethyl-1-[(2E,5Z)-hepta-2,5-dien-3-yl]oxy-N-methylbut-2-en-1-amine
CID 170210538
5-[5-(dimethylamino)pent-2-enoxy]-N,N-dimethylpent-3-en-1-amine
CID 173348749

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine (CID 67907519) is N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine is C=CCN(CC=C)C1CC=CCO1.
What is the InChIKey of N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine?
The InChIKey is SDOGYCRQHHQGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-8-12(9-4-2)11-7-5-6-10-13-11/h3-6,11H,1-2,7-10H2.
What are the key properties of N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine?
N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine has a molecular weight of 179.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-3,6-dihydro-2H-pyran-2-amine is sourced from PubChem (CID 67907519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).