N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine

C15H32N2 — CID 62553891

IUPACN'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
SMILESCCCCN(CCNCCC(C)(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-5-6-12-17(14-7-8-14)13-11-16-10-9-15(2,3)4/h14,16H,5-13H2,1-4H3
InChIKeyUEAFISIVSWXSFN-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds9

About N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine

N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine (PubChem CID 62553891) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
PubChem CID62553891
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
SMILESCCCCN(CCNCCC(C)(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-5-6-12-17(14-7-8-14)13-11-16-10-9-15(2,3)4/h14,16H,5-13H2,1-4H3
InChIKeyUEAFISIVSWXSFN-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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

N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037
N'-butyl-N'-cyclopropyl-3,3-dimethylhexane-1,6-diamine
CID 65295973
N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
5-[butyl(cyclopropyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64825919
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
N-butyl-N-(3-piperidin-4-ylpropyl)cyclopropanamine
CID 62212523
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N-(2-benzylsulfanylethyl)-N'-butyl-N'-cyclohexylethane-1,2-diamine;N-(2-benzylsulfanylethyl)-N'-butyl-N'-cyclopentylethane-1,2-diamine
CID 144977010
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine (CID 62553891) is N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine is CCCCN(CCNCCC(C)(C)C)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
The InChIKey is UEAFISIVSWXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-12-17(14-7-8-14)13-11-16-10-9-15(2,3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine?
N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62553891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).