N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine

C12H25NO2 — CID 21027171

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1COC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-11(2,3)6-7-13-8-10-9-14-12(4,5)15-10/h10,13H,6-9H2,1-5H3
InChIKeyNYCQRVWEFRIRMM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.16
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 21027171) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID21027171
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1COC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-11(2,3)6-7-13-8-10-9-14-12(4,5)15-10/h10,13H,6-9H2,1-5H3
InChIKeyNYCQRVWEFRIRMM-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(1,1-dimethylethyl)-, hydrochloride
CID 3069288
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(ethyl)amine hydrochloride
CID 165998880
(3S,4S)-3,4-bis(methoxymethoxy)pyrrolidine
CID 10954367
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine
CID 14009886
Oqexxkbgtyuaep-uhfffaoysa-
CID 12887142
[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 6610880
(4s,5s)-2,2-Dimethyl-4,5-bis(methylaminomethyl)-1,3-dioxolane
CID 12007967
(1s,14s)-16-t-Butyl-16-methyl-6,9,15,17-tetra-oxa-3,12-diazabicyclo[12.3.0]heptadecane
CID 12065731
5-Tert-butyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 3069289
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine
CID 11402319
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propan-2-amine
CID 12762815
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine
CID 12762816

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine (CID 21027171) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is NYCQRVWEFRIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)6-7-13-8-10-9-14-12(4,5)15-10/h10,13H,6-9H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 21027171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).