4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine

C13H28N2 — CID 107402116

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
SMILESCCN(CC1CCC1)C(C)CCCNC
InChIInChI=1S/C13H28N2/c1-4-15(11-13-8-5-9-13)12(2)7-6-10-14-3/h12-14H,4-11H2,1-3H3
InChIKeyZIDBWUABPYTBQA-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds8

About 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine (PubChem CID 107402116) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
PubChem CID107402116
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
SMILESCCN(CC1CCC1)C(C)CCCNC
InChIInChI=1S/C13H28N2/c1-4-15(11-13-8-5-9-13)12(2)7-6-10-14-3/h12-14H,4-11H2,1-3H3
InChIKeyZIDBWUABPYTBQA-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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

4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62411804
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63940082
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62428039
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
CID 62423084
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 107402528
3-N-(cyclobutylmethyl)-2-N,3-N-diethylbutane-2,3-diamine
CID 107398113
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 107402812

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine (CID 107402116) is 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine is CCN(CC1CCC1)C(C)CCCNC.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The InChIKey is ZIDBWUABPYTBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-15(11-13-8-5-9-13)12(2)7-6-10-14-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 107402116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).