2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine

C15H30N2O — CID 64521692

IUPAC2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine
SMILESCCOCCCNCC(C)N(CC1CC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-3-18-10-4-9-16-11-13(2)17(15-7-8-15)12-14-5-6-14/h13-16H,3-12H2,1-2H3
InChIKeyFWVVRKBNZGHHBE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds11

About 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine (PubChem CID 64521692) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine
PubChem CID64521692
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine
SMILESCCOCCCNCC(C)N(CC1CC1)C1CC1
InChIInChI=1S/C15H30N2O/c1-3-18-10-4-9-16-11-13(2)17(15-7-8-15)12-14-5-6-14/h13-16H,3-12H2,1-2H3
InChIKeyFWVVRKBNZGHHBE-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
CID 62569230
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
1-N-(3-ethoxypropyl)-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568076
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 62567824

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine (CID 64521692) is 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine is CCOCCCNCC(C)N(CC1CC1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine?
The InChIKey is FWVVRKBNZGHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-18-10-4-9-16-11-13(2)17(15-7-8-15)12-14-5-6-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(3-ethoxypropyl)propane-1,2-diamine is sourced from PubChem (CID 64521692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).