4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine

C13H28N2O — CID 107402945

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
SMILESCCN(CC1CCC1)C(CCCN)COC
InChIInChI=1S/C13H28N2O/c1-3-15(10-12-6-4-7-12)13(11-16-2)8-5-9-14/h12-13H,3-11,14H2,1-2H3
InChIKeyVZODOTAEMUQBOI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds9

About 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine (PubChem CID 107402945) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
PubChem CID107402945
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
SMILESCCN(CC1CCC1)C(CCCN)COC
InChIInChI=1S/C13H28N2O/c1-3-15(10-12-6-4-7-12)13(11-16-2)8-5-9-14/h12-13H,3-11,14H2,1-2H3
InChIKeyVZODOTAEMUQBOI-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
CID 103391763
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
4-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine
CID 103391992

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine (CID 107402945) is 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine is CCN(CC1CCC1)C(CCCN)COC.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine?
The InChIKey is VZODOTAEMUQBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-15(10-12-6-4-7-12)13(11-16-2)8-5-9-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 107402945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).