N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine

C16H33NO — CID 138728540

IUPACN-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CCCOCCCN(CC(C)C)C1CC1
InChIInChI=1S/C16H33NO/c1-14(2)7-5-11-18-12-6-10-17(13-15(3)4)16-8-9-16/h14-16H,5-13H2,1-4H3
InChIKeyBHLRRIFCXFQIOF-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.95
Rot. Bonds11

About N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine

N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 138728540) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID138728540
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CCCOCCCN(CC(C)C)C1CC1
InChIInChI=1S/C16H33NO/c1-14(2)7-5-11-18-12-6-10-17(13-15(3)4)16-8-9-16/h14-16H,5-13H2,1-4H3
InChIKeyBHLRRIFCXFQIOF-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-[2-(3-methylbutoxy)ethyl]cyclobutanamine
CID 102860630
6-[cyclopropyl(2-methylpropyl)amino]hexan-1-ol
CID 103737780
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 63628424
1-N-cyclopropyl-5-methoxy-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 81100919
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 81101876
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine (CID 138728540) is N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine is CC(C)CCCOCCCN(CC(C)C)C1CC1.
What is the InChIKey of N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is BHLRRIFCXFQIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)7-5-11-18-12-6-10-17(13-15(3)4)16-8-9-16/h14-16H,5-13H2,1-4H3.
What are the key properties of N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine?
N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 255.45 g/mol, XLogP of 3.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpentoxy)propyl]-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 138728540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).