2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine

C10H22N2O2 — CID 66178476

IUPAC2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
SMILESCOC(OC)C(C)(CN)NCC1CC1
InChIInChI=1S/C10H22N2O2/c1-10(7-11,9(13-2)14-3)12-6-8-4-5-8/h8-9,12H,4-7,11H2,1-3H3
InChIKeyUPBXLRVEMIBISQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.32
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine

2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine (PubChem CID 66178476) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
PubChem CID66178476
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine
SMILESCOC(OC)C(C)(CN)NCC1CC1
InChIInChI=1S/C10H22N2O2/c1-10(7-11,9(13-2)14-3)12-6-8-4-5-8/h8-9,12H,4-7,11H2,1-3H3
InChIKeyUPBXLRVEMIBISQ-UHFFFAOYSA-N
XLogP0.32
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine (CID 66178476) is 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine is COC(OC)C(C)(CN)NCC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
The InChIKey is UPBXLRVEMIBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(7-11,9(13-2)14-3)12-6-8-4-5-8/h8-9,12H,4-7,11H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine?
2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-3,3-dimethoxy-2-methylpropane-1,2-diamine is sourced from PubChem (CID 66178476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).