N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine

C16H33NO — CID 55106599

IUPACN-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
SMILESCCCC(C)(CCOCCC(C)C)CNC1CC1
InChIInChI=1S/C16H33NO/c1-5-9-16(4,13-17-15-6-7-15)10-12-18-11-8-14(2)3/h14-15,17H,5-13H2,1-4H3
InChIKeyQXWMUTGOYTVDHE-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds11

About N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine

N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine (PubChem CID 55106599) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
PubChem CID55106599
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
SMILESCCCC(C)(CCOCCC(C)C)CNC1CC1
InChIInChI=1S/C16H33NO/c1-5-9-16(4,13-17-15-6-7-15)10-12-18-11-8-14(2)3/h14-15,17H,5-13H2,1-4H3
InChIKeyQXWMUTGOYTVDHE-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
N-tert-butyl-2-methyl-2-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 62724021
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 55056498
N-(5-methoxy-2-methyl-2-propylpentyl)cyclopropanamine
CID 62723418
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
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
2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
N-cyclopropyl-N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-2-propylpropane-1,3-diamine
CID 55056516
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine (CID 55106599) is N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine is CCCC(C)(CCOCCC(C)C)CNC1CC1.
What is the InChIKey of N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine?
The InChIKey is QXWMUTGOYTVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-9-16(4,13-17-15-6-7-15)10-12-18-11-8-14(2)3/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine?
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 11 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-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine is sourced from PubChem (CID 55106599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).