N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine

C13H27NO — CID 62723418

IUPACN-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
SMILESCCCC(C)(CCCOC)CNC1CC1
InChIInChI=1S/C13H27NO/c1-4-8-13(2,9-5-10-15-3)11-14-12-6-7-12/h12,14H,4-11H2,1-3H3
InChIKeyVSNYDZXISDOVLG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds9

About N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine

N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine (PubChem CID 62723418) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
PubChem CID62723418
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
SMILESCCCC(C)(CCCOC)CNC1CC1
InChIInChI=1S/C13H27NO/c1-4-8-13(2,9-5-10-15-3)11-14-12-6-7-12/h12,14H,4-11H2,1-3H3
InChIKeyVSNYDZXISDOVLG-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
CID 62717827
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
N-cyclopropyl-N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-2-propylpropane-1,3-diamine
CID 55056516
6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
CID 104649332
N-[2-(cyclopropylmethoxymethyl)-2-methylpentyl]cyclopropanamine
CID 106930748
N,N'-dicyclopropyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62262170
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine
CID 63508914

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine?
The IUPAC name of N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine (CID 62723418) is N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine.
What is the SMILES notation for N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine?
The canonical SMILES for N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine is CCCC(C)(CCCOC)CNC1CC1.
What is the InChIKey of N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine?
The InChIKey is VSNYDZXISDOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-8-13(2,9-5-10-15-3)11-14-12-6-7-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine?
N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine is sourced from PubChem (CID 62723418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).