1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine

C10H22N2O — CID 81101411

IUPAC1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
SMILESCCN(CC(N)COC)CC1CC1
InChIInChI=1S/C10H22N2O/c1-3-12(6-9-4-5-9)7-10(11)8-13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyPJZHBUYDERQPDL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds7

About 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine

1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine (PubChem CID 81101411) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
PubChem CID81101411
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine
SMILESCCN(CC(N)COC)CC1CC1
InChIInChI=1S/C10H22N2O/c1-3-12(6-9-4-5-9)7-10(11)8-13-2/h9-10H,3-8,11H2,1-2H3
InChIKeyPJZHBUYDERQPDL-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine (CID 81101411) is 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine is CCN(CC(N)COC)CC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine?
The InChIKey is PJZHBUYDERQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-12(6-9-4-5-9)7-10(11)8-13-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N-ethyl-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 81101411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).