N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine

C16H30N2O — CID 169114932

IUPACN-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)C1=CC(OCCN(C)C)=CCC1
InChIInChI=1S/C16H30N2O/c1-13(2)12-17-14(3)15-7-6-8-16(11-15)19-10-9-18(4)5/h8,11,13-14,17H,6-7,9-10,12H2,1-5H3
InChIKeyYQWJIMXGCBLUBD-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds8

About N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine

N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 169114932) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine
PubChem CID169114932
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)C1=CC(OCCN(C)C)=CCC1
InChIInChI=1S/C16H30N2O/c1-13(2)12-17-14(3)15-7-6-8-16(11-15)19-10-9-18(4)5/h8,11,13-14,17H,6-7,9-10,12H2,1-5H3
InChIKeyYQWJIMXGCBLUBD-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[3-[2-(dimethylamino)ethoxy]-4-fluorocyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine
CID 169112195
N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 123211623
4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
CID 123982386
N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine
CID 134485505
1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142147408
4,5-dimethyl-6-[(Z)-(5-methylideneazepan-4-ylidene)methyl]-2,3-dihydro-1,4-oxazine
CID 144249048
Ethane;4-oxa-7,14-diazatricyclo[9.5.0.03,8]hexadeca-1,3(8),10-triene
CID 144249077
(2E,4E)-5-[[5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methoxy]hexa-2,4-dien-2-amine
CID 164148835
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
CID 164737027
N-[2-(3,4-dimethylcyclohexa-1,5-dien-1-yl)oxyethyl]-1-methylpiperidin-4-amine
CID 166648811

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine (CID 169114932) is N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNC(C)C1=CC(OCCN(C)C)=CCC1.
What is the InChIKey of N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is YQWJIMXGCBLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)12-17-14(3)15-7-6-8-16(11-15)19-10-9-18(4)5/h8,11,13-14,17H,6-7,9-10,12H2,1-5H3.
What are the key properties of N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 169114932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).