1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine

C12H25NO2 — CID 103546603

IUPAC1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine
SMILESCCCC(C)CC(CC1OCCO1)NC
InChIInChI=1S/C12H25NO2/c1-4-5-10(2)8-11(13-3)9-12-14-6-7-15-12/h10-13H,4-9H2,1-3H3
InChIKeyWTKOMEDIFAGOOX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.16
Rot. Bonds7

About 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine

1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine (PubChem CID 103546603) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine
PubChem CID103546603
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine
SMILESCCCC(C)CC(CC1OCCO1)NC
InChIInChI=1S/C12H25NO2/c1-4-5-10(2)8-11(13-3)9-12-14-6-7-15-12/h10-13H,4-9H2,1-3H3
InChIKeyWTKOMEDIFAGOOX-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1-(1,3-dioxolan-2-yl)-4-ethyl-N-methylhexan-2-amine
CID 103547104
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
1-(1,3-dioxolan-2-yl)-N-methyl-4-methylidenehexan-2-amine
CID 103546935
N,4-dimethyl-1-propylsulfanylheptan-2-amine
CID 65129203
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
CID 107011903
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 103546450
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
2-(2-methylpentyl)-1,3-dioxan-4-ol
CID 89310724
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
CID 70443822

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine (CID 103546603) is 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine is CCCC(C)CC(CC1OCCO1)NC.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine?
The InChIKey is WTKOMEDIFAGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-10(2)8-11(13-3)9-12-14-6-7-15-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine?
1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N,4-dimethylheptan-2-amine is sourced from PubChem (CID 103546603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).