N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine

C10H21NO2 — CID 130729657

IUPACN-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1OCCO1
InChIInChI=1S/C10H21NO2/c1-3-5-6-11(4-2)9-10-12-7-8-13-10/h10H,3-9H2,1-2H3
InChIKeyQMRLEOPUPSEJDE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.48
Rot. Bonds6

About N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine

N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine (PubChem CID 130729657) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
PubChem CID130729657
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1OCCO1
InChIInChI=1S/C10H21NO2/c1-3-5-6-11(4-2)9-10-12-7-8-13-10/h10H,3-9H2,1-2H3
InChIKeyQMRLEOPUPSEJDE-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N,N-dibutylbutan-1-amine;1,4-dioxane
CID 67854629
3-[[butyl(ethyl)amino]methyl]oxan-4-one
CID 103057614
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
ethyl 3-[butyl-[2-(1,3-dioxolan-2-yl)ethyl]amino]propanoate
CID 169006437
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine (CID 130729657) is N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine is CCCCN(CC)CC1OCCO1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine?
The InChIKey is QMRLEOPUPSEJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-11(4-2)9-10-12-7-8-13-10/h10H,3-9H2,1-2H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine?
N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 130729657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).