N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine

C15H31NO — CID 106456863

IUPACN-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
SMILESCCCC(C)(CCOCC(C)C)CNC1CC1
InChIInChI=1S/C15H31NO/c1-5-8-15(4,12-16-14-6-7-14)9-10-17-11-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyFPQDFVWAOVGAQT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds10

About N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine

N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine (PubChem CID 106456863) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
PubChem CID106456863
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
SMILESCCCC(C)(CCOCC(C)C)CNC1CC1
InChIInChI=1S/C15H31NO/c1-5-8-15(4,12-16-14-6-7-14)9-10-17-11-13(2)3/h13-14,16H,5-12H2,1-4H3
InChIKeyFPQDFVWAOVGAQT-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865
N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
N-cyclopropyl-N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-2-propylpropane-1,3-diamine
CID 55056516
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N-[2-(cyclopropylmethoxymethyl)-2-methylpentyl]cyclopropanamine
CID 106930748
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine (CID 106456863) is N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine is CCCC(C)(CCOCC(C)C)CNC1CC1.
What is the InChIKey of N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine?
The InChIKey is FPQDFVWAOVGAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-8-15(4,12-16-14-6-7-14)9-10-17-11-13(2)3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine?
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine is sourced from PubChem (CID 106456863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).