N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine

C16H34N2O — CID 102740718

IUPACN-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
SMILESCC(C)CNCCCCCCOCCN(C)C1CC1
InChIInChI=1S/C16H34N2O/c1-15(2)14-17-10-6-4-5-7-12-19-13-11-18(3)16-8-9-16/h15-17H,4-14H2,1-3H3
InChIKeyMUYDAYRGLFXMGR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds13

About N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine

N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine (PubChem CID 102740718) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
PubChem CID102740718
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
SMILESCC(C)CNCCCCCCOCCN(C)C1CC1
InChIInChI=1S/C16H34N2O/c1-15(2)14-17-10-6-4-5-7-12-19-13-11-18(3)16-8-9-16/h15-17H,4-14H2,1-3H3
InChIKeyMUYDAYRGLFXMGR-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
N-methyl-N-[2-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methoxy]ethyl]cyclopropanamine
CID 102740783
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]cyclopropanamine
CID 102740741
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
CID 79679402
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine (CID 102740718) is N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine is CC(C)CNCCCCCCOCCN(C)C1CC1.
What is the InChIKey of N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine?
The InChIKey is MUYDAYRGLFXMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2)14-17-10-6-4-5-7-12-19-13-11-18(3)16-8-9-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine?
N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 102740718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).