N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine

C13H30N2O — CID 115714050

IUPACN',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCNC(C)CCOC
InChIInChI=1S/C13H30N2O/c1-5-15(6-2)11-8-7-10-14-13(3)9-12-16-4/h13-14H,5-12H2,1-4H3
InChIKeyHMZBNGIQGIJWQD-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds11

About N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine

N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine (PubChem CID 115714050) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
PubChem CID115714050
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCNC(C)CCOC
InChIInChI=1S/C13H30N2O/c1-5-15(6-2)11-8-7-10-14-13(3)9-12-16-4/h13-14H,5-12H2,1-4H3
InChIKeyHMZBNGIQGIJWQD-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
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

4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine (CID 115714050) is N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine is CCN(CC)CCCCNC(C)CCOC.
What is the InChIKey of N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine?
The InChIKey is HMZBNGIQGIJWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-15(6-2)11-8-7-10-14-13(3)9-12-16-4/h13-14H,5-12H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine?
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 115714050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).