1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine

C14H28N2O — CID 103340360

IUPAC1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCN(CCOC)C(CCC)CNC1CC1
InChIInChI=1S/C14H28N2O/c1-4-6-14(12-15-13-7-8-13)16(9-5-2)10-11-17-3/h5,13-15H,2,4,6-12H2,1,3H3
InChIKeyKTHNIVRPHWZAFN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds11

About 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine

1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine (PubChem CID 103340360) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine
PubChem CID103340360
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCN(CCOC)C(CCC)CNC1CC1
InChIInChI=1S/C14H28N2O/c1-4-6-14(12-15-13-7-8-13)16(9-5-2)10-11-17-3/h5,13-15H,2,4,6-12H2,1,3H3
InChIKeyKTHNIVRPHWZAFN-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine (CID 103340360) is 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine is C=CCN(CCOC)C(CCC)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine?
The InChIKey is KTHNIVRPHWZAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-14(12-15-13-7-8-13)16(9-5-2)10-11-17-3/h5,13-15H,2,4,6-12H2,1,3H3.
What are the key properties of 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine?
1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpentane-1,2-diamine is sourced from PubChem (CID 103340360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).