2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine

C13H27NO — CID 70930249

IUPAC2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-11(2,3)14-9-13(7-8-13)10-15-12(4,5)6/h14H,7-10H2,1-6H3
InChIKeyNFDAAFOONLINHN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine

2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 70930249) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine
PubChem CID70930249
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-11(2,3)14-9-13(7-8-13)10-15-12(4,5)6/h14H,7-10H2,1-6H3
InChIKeyNFDAAFOONLINHN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine (CID 70930249) is 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine is CC(C)(C)NCC1(COC(C)(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is NFDAAFOONLINHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2,3)14-9-13(7-8-13)10-15-12(4,5)6/h14H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine?
2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 70930249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).