1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine

C13H28N2O — CID 103225626

IUPAC1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)C(CNC1CC1)COC
InChIInChI=1S/C13H28N2O/c1-4-5-6-9-15(2)13(11-16-3)10-14-12-7-8-12/h12-14H,4-11H2,1-3H3
InChIKeyMDSGAKHKBFVQEP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds10

About 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine

1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine (PubChem CID 103225626) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
PubChem CID103225626
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
SMILESCCCCCN(C)C(CNC1CC1)COC
InChIInChI=1S/C13H28N2O/c1-4-5-6-9-15(2)13(11-16-3)10-14-12-7-8-12/h12-14H,4-11H2,1-3H3
InChIKeyMDSGAKHKBFVQEP-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
CID 103225416
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 103227237
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227378
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668
1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054390
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
1-N-cyclohexyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63007613
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine (CID 103225626) is 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine is CCCCCN(C)C(CNC1CC1)COC.
What is the InChIKey of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine?
The InChIKey is MDSGAKHKBFVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-6-9-15(2)13(11-16-3)10-14-12-7-8-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine?
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 103225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).