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

C13H28N2O — CID 62437351

IUPACN'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(CCOC)C1CC1
InChIInChI=1S/C13H28N2O/c1-3-8-14-9-4-5-10-15(11-12-16-2)13-6-7-13/h13-14H,3-12H2,1-2H3
InChIKeyMICZZRIKNSFHDR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds11

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

N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine (PubChem CID 62437351) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
PubChem CID62437351
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(CCOC)C1CC1
InChIInChI=1S/C13H28N2O/c1-3-8-14-9-4-5-10-15(11-12-16-2)13-6-7-13/h13-14H,3-12H2,1-2H3
InChIKeyMICZZRIKNSFHDR-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451815
N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62568426
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
CID 106799560
1-butyl-3-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methylguanidine
CID 111149772
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine (CID 62437351) is N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine is CCCNCCCCN(CCOC)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
The InChIKey is MICZZRIKNSFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-8-14-9-4-5-10-15(11-12-16-2)13-6-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine?
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine is sourced from PubChem (CID 62437351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).