N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine

C16H33NO — CID 79626833

IUPACN-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCCCC(CC)COCC(C)(C)CNC1CC1
InChIInChI=1S/C16H33NO/c1-5-7-8-14(6-2)11-18-13-16(3,4)12-17-15-9-10-15/h14-15,17H,5-13H2,1-4H3
InChIKeyMDROKAYREASOCF-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds11

About N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine

N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine (PubChem CID 79626833) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
PubChem CID79626833
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
SMILESCCCCC(CC)COCC(C)(C)CNC1CC1
InChIInChI=1S/C16H33NO/c1-5-7-8-14(6-2)11-18-13-16(3,4)12-17-15-9-10-15/h14-15,17H,5-13H2,1-4H3
InChIKeyMDROKAYREASOCF-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

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Related Compounds

3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
CID 79626671
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine
CID 106705900
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
CID 63906066

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine (CID 79626833) is N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine is CCCCC(CC)COCC(C)(C)CNC1CC1.
What is the InChIKey of N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine?
The InChIKey is MDROKAYREASOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-8-14(6-2)11-18-13-16(3,4)12-17-15-9-10-15/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine?
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]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-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine is sourced from PubChem (CID 79626833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).