N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine

C13H21NO — CID 134921126

IUPACN,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine
SMILESC/C=C\C1=C(N(CC)CC)OC(C)=CC1
InChIInChI=1S/C13H21NO/c1-5-8-12-10-9-11(4)15-13(12)14(6-2)7-3/h5,8-9H,6-7,10H2,1-4H3/b8-5-
InChIKeyRZDVMAJWGYAROY-YVMONPNESA-N
MW207.32 g/mol
LogP3.44
Rot. Bonds4

About N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine

N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine (PubChem CID 134921126) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine
PubChem CID134921126
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine
SMILESC/C=C\C1=C(N(CC)CC)OC(C)=CC1
InChIInChI=1S/C13H21NO/c1-5-8-12-10-9-11(4)15-13(12)14(6-2)7-3/h5,8-9H,6-7,10H2,1-4H3/b8-5-
InChIKeyRZDVMAJWGYAROY-YVMONPNESA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Diethyl-amino-3-[(2-methyl)prop-1-en-1-yl]-6-methyl-4h-pyran
CID 13815686
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 152805425
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 143074213
(Z)-[di(propan-2-yl)amino]-[(6E)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methanolate
CID 177566591

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine?
The IUPAC name of N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine (CID 134921126) is N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine.
What is the SMILES notation for N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine?
The canonical SMILES for N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine is C/C=C\C1=C(N(CC)CC)OC(C)=CC1.
What is the InChIKey of N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine?
The InChIKey is RZDVMAJWGYAROY-YVMONPNESA-N. The full InChI is InChI=1S/C13H21NO/c1-5-8-12-10-9-11(4)15-13(12)14(6-2)7-3/h5,8-9H,6-7,10H2,1-4H3/b8-5-.
What are the key properties of N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine?
N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine has a molecular weight of 207.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine is sourced from PubChem (CID 134921126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).