[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine

C7H16N2O2 — CID 2829039

IUPAC[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C)OC(CN)C(CN)O1
InChIInChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3
InChIKeyKQGQLRAYJUXGOW-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.58
Rot. Bonds2

About [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine

[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 2829039) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
PubChem CID2829039
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
SMILESCC1(C)OC(CN)C(CN)O1
InChIInChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3
InChIKeyKQGQLRAYJUXGOW-UHFFFAOYSA-N
XLogP-0.58
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine 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

[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
[(4R,5R)-5-(aminomethyl)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]methanamine;platinum
CID 161224025
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanamine
CID 7057290
[(4R,5R)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
CID 159019072
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
[(4S,5S)-5-(azaniumylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methylazanium
CID 6943508
[(4R,5R)-5-(aminomethyl)-2,2-diiodo-1,3-dioxolan-4-yl]methanamine
CID 54175618
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
propan-2-yl (4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 178196755
(3aS,4R,7S,7aR)-7-amino-4-(aminomethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 174154793
2-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
CID 130754247
(4R,5S)-4-(bromomethyl)-2,2,5-trimethyl-1,3-dioxolane
CID 12741636

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine (CID 2829039) is [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is CC1(C)OC(CN)C(CN)O1.
What is the InChIKey of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is KQGQLRAYJUXGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine?
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 160.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 2829039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).