2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine

C16H34N2 — CID 78991146

IUPAC2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(CCC(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-13(2)8-10-17-12-15(5)18(16-6-7-16)11-9-14(3)4/h13-17H,6-12H2,1-5H3
InChIKeySOJRBSSSBLGCQL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds10

About 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine

2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine (PubChem CID 78991146) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
PubChem CID78991146
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(CCC(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-13(2)8-10-17-12-15(5)18(16-6-7-16)11-9-14(3)4/h13-17H,6-12H2,1-5H3
InChIKeySOJRBSSSBLGCQL-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 78991141
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78989879
2-N-cyclopropyl-2-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)propane-1,2-diamine
CID 62569230
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
2-N-methyl-1-N-(3-methylbutyl)-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568613
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 78989943
N-(2-cyclopropylpropyl)-3-methylbutan-1-amine
CID 115592627
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
3-N-cyclopropyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62420912

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine (CID 78991146) is 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine is CC(C)CCNCC(C)N(CCC(C)C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine?
The InChIKey is SOJRBSSSBLGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)8-10-17-12-15(5)18(16-6-7-16)11-9-14(3)4/h13-17H,6-12H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine?
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 78991146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).