N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine

C14H29NO — CID 104649334

IUPACN-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
SMILESCCCC(C)(CCCCOC)CNC1CC1
InChIInChI=1S/C14H29NO/c1-4-9-14(2,10-5-6-11-16-3)12-15-13-7-8-13/h13,15H,4-12H2,1-3H3
InChIKeyJHIWQQDVFRGYKL-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds10

About N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine

N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine (PubChem CID 104649334) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
PubChem CID104649334
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
SMILESCCCC(C)(CCCCOC)CNC1CC1
InChIInChI=1S/C14H29NO/c1-4-9-14(2,10-5-6-11-16-3)12-15-13-7-8-13/h13,15H,4-12H2,1-3H3
InChIKeyJHIWQQDVFRGYKL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
CID 62717827
6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
CID 104649332
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-2-propylhexan-1-amine
CID 104649289
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-(2,2-dimethyloctyl)cyclopropanamine
CID 62724340

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine?
The IUPAC name of N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine (CID 104649334) is N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine.
What is the SMILES notation for N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine?
The canonical SMILES for N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine is CCCC(C)(CCCCOC)CNC1CC1.
What is the InChIKey of N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine?
The InChIKey is JHIWQQDVFRGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-9-14(2,10-5-6-11-16-3)12-15-13-7-8-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine?
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine is sourced from PubChem (CID 104649334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).