1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine

C14H30N2O — CID 81101876

IUPAC1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(CCC(C)C)C1CC1
InChIInChI=1S/C14H30N2O/c1-12(2)8-9-16(14-6-7-14)11-13(15)5-4-10-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyHRCQFXCMWDAION-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds10

About 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine

1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine (PubChem CID 81101876) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
PubChem CID81101876
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
SMILESCOCCCC(N)CN(CCC(C)C)C1CC1
InChIInChI=1S/C14H30N2O/c1-12(2)8-9-16(14-6-7-14)11-13(15)5-4-10-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyHRCQFXCMWDAION-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
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

1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 81100919
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
1-methoxy-7-methyloctan-4-amine
CID 62603924
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
CID 138728540
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
N-cyclopropyl-N-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 80544285
5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
CID 81101623

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine (CID 81101876) is 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine is COCCCC(N)CN(CCC(C)C)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine?
The InChIKey is HRCQFXCMWDAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)8-9-16(14-6-7-14)11-13(15)5-4-10-17-3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine?
1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 81101876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).