N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine

C14H32N2O — CID 62462963

IUPACN'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(CCOC)C(C)CC
InChIInChI=1S/C14H32N2O/c1-5-9-15-10-7-8-11-16(12-13-17-4)14(3)6-2/h14-15H,5-13H2,1-4H3
InChIKeyVYXYVGLFFJZMLR-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds12

About N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine

N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine (PubChem CID 62462963) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
PubChem CID62462963
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(CCOC)C(C)CC
InChIInChI=1S/C14H32N2O/c1-5-9-15-10-7-8-11-16(12-13-17-4)14(3)6-2/h14-15H,5-13H2,1-4H3
InChIKeyVYXYVGLFFJZMLR-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
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

N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
CID 62426328
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 62436501
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
The IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine (CID 62462963) is N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine is CCCNCCCCN(CCOC)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
The InChIKey is VYXYVGLFFJZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-9-15-10-7-8-11-16(12-13-17-4)14(3)6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine is sourced from PubChem (CID 62462963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).