N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine

C10H21NO — CID 103743906

IUPACN-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
SMILESCNCC1(C(C)C)CCCOC1
InChIInChI=1S/C10H21NO/c1-9(2)10(7-11-3)5-4-6-12-8-10/h9,11H,4-8H2,1-3H3
InChIKeySMYTWHMXINMRKA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine

N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine (PubChem CID 103743906) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
PubChem CID103743906
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
SMILESCNCC1(C(C)C)CCCOC1
InChIInChI=1S/C10H21NO/c1-9(2)10(7-11-3)5-4-6-12-8-10/h9,11H,4-8H2,1-3H3
InChIKeySMYTWHMXINMRKA-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine (CID 103743906) is N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine is CNCC1(C(C)C)CCCOC1.
What is the InChIKey of N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine?
The InChIKey is SMYTWHMXINMRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)10(7-11-3)5-4-6-12-8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine?
N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine is sourced from PubChem (CID 103743906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).