methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate

C15H29NO2 — CID 114868158

IUPACmethyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCOC(=O)C(CC(C)C)(CC(C)C)NCC1CC1
InChIInChI=1S/C15H29NO2/c1-11(2)8-15(9-12(3)4,14(17)18-5)16-10-13-6-7-13/h11-13,16H,6-10H2,1-5H3
InChIKeyWFRNXGPWTVNUKP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds8

About methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate

methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate (PubChem CID 114868158) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate
PubChem CID114868158
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate
SMILESCOC(=O)C(CC(C)C)(CC(C)C)NCC1CC1
InChIInChI=1S/C15H29NO2/c1-11(2)8-15(9-12(3)4,14(17)18-5)16-10-13-6-7-13/h11-13,16H,6-10H2,1-5H3
InChIKeyWFRNXGPWTVNUKP-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate (CID 114868158) is methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate is COC(=O)C(CC(C)C)(CC(C)C)NCC1CC1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
The InChIKey is WFRNXGPWTVNUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(2)8-15(9-12(3)4,14(17)18-5)16-10-13-6-7-13/h11-13,16H,6-10H2,1-5H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate?
methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate has a molecular weight of 255.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate is sourced from PubChem (CID 114868158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).