3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine

C14H32N2O2 — CID 79409379

IUPAC3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CCOC)CCOC
InChIInChI=1S/C14H32N2O2/c1-6-7-15-12-13(2)14(3)16(8-10-17-4)9-11-18-5/h13-15H,6-12H2,1-5H3
InChIKeyNHPRWQXMJUGTNZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.61
Rot. Bonds12

About 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine

3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine (PubChem CID 79409379) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
PubChem CID79409379
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CCOC)CCOC
InChIInChI=1S/C14H32N2O2/c1-6-7-15-12-13(2)14(3)16(8-10-17-4)9-11-18-5/h13-15H,6-12H2,1-5H3
InChIKeyNHPRWQXMJUGTNZ-UHFFFAOYSA-N
XLogP1.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-ethyl-3-N,3-N-bis(2-methoxyethyl)-2-methylbutane-1,3-diamine
CID 81019237
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
CID 79409373
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 62436501
2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 79409681
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
3-N-(2-methoxyethyl)-3-N-(3-methoxypropyl)-1-N,2-dimethylbutane-1,3-diamine
CID 79409479
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019817

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine (CID 79409379) is 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine is CCCNCC(C)C(C)N(CCOC)CCOC.
What is the InChIKey of 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine?
The InChIKey is NHPRWQXMJUGTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-6-7-15-12-13(2)14(3)16(8-10-17-4)9-11-18-5/h13-15H,6-12H2,1-5H3.
What are the key properties of 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine?
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 1.61, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79409379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).