N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene

C16H21NO — CID 87417132

IUPACN,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene
SMILESC#CCN(CC)CC.C#CCOc1ccccc1
InChIInChI=1S/C9H8O.C7H13N/c1-2-8-10-9-6-4-3-5-7-9;1-4-7-8(5-2)6-3/h1,3-7H,8H2;1H,5-7H2,2-3H3
InChIKeyWTTBELPNUWEEAP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.66
Rot. Bonds5

About N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene

N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene (PubChem CID 87417132) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene.

Molecular Properties

Compound NameN,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene
PubChem CID87417132
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene
SMILESC#CCN(CC)CC.C#CCOc1ccccc1
InChIInChI=1S/C9H8O.C7H13N/c1-2-8-10-9-6-4-3-5-7-9;1-4-7-8(5-2)6-3/h1,3-7H,8H2;1H,5-7H2,2-3H3
InChIKeyWTTBELPNUWEEAP-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;prop-2-ynoxybenzene
CID 144946264
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
(Z)-3-(2-methyl-5-prop-2-ynoxyphenyl)-N,N-bis(prop-2-ynyl)hept-3-en-1-amine
CID 174162731
1-prop-2-ynoxy-4-[2-(4-prop-2-ynoxyphenyl)propan-2-yl]benzene
CID 14716637
1-(2-methylbutan-2-yl)-3-prop-2-ynoxybenzene
CID 89102636
1-[ethoxy-bis(4-prop-2-ynoxyphenyl)methyl]-4-prop-2-ynoxybenzene
CID 15933577
1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 15328999
4-methoxybut-2-ynoxybenzene
CID 130831376
4-bromobut-2-ynoxybenzene
CID 11345128
N,N-bis(4-phenoxybut-2-ynyl)aniline
CID 142772282
ethoxybenzene chloride
CID 21193593
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381

Frequently Asked Questions

What is the IUPAC name of N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene?
The IUPAC name of N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene (CID 87417132) is N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene.
What is the SMILES notation for N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene?
The canonical SMILES for N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene is C#CCN(CC)CC.C#CCOc1ccccc1.
What is the InChIKey of N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene?
The InChIKey is WTTBELPNUWEEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C7H13N/c1-2-8-10-9-6-4-3-5-7-9;1-4-7-8(5-2)6-3/h1,3-7H,8H2;1H,5-7H2,2-3H3.
What are the key properties of N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene?
N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene has a molecular weight of 243.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylprop-2-yn-1-amine;prop-2-ynoxybenzene is sourced from PubChem (CID 87417132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).