N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine

C13H30N2O — CID 62426328

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(CC)C(C)COC
InChIInChI=1S/C13H30N2O/c1-5-9-14-10-7-8-11-15(6-2)13(3)12-16-4/h13-14H,5-12H2,1-4H3
InChIKeyGDCLFOGKURRSQT-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds11

About N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine (PubChem CID 62426328) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
PubChem CID62426328
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(CC)C(C)COC
InChIInChI=1S/C13H30N2O/c1-5-9-14-10-7-8-11-15(6-2)13(3)12-16-4/h13-14H,5-12H2,1-4H3
InChIKeyGDCLFOGKURRSQT-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

N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 62227074
N'-ethyl-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62569840
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555171
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
6-[ethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64826103
3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63692329
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine (CID 62426328) is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine is CCCNCCCCN(CC)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine?
The InChIKey is GDCLFOGKURRSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-9-14-10-7-8-11-15(6-2)13(3)12-16-4/h13-14H,5-12H2,1-4H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-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'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine is sourced from PubChem (CID 62426328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).