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

C10H21NO — CID 130624449

IUPACN-methyl-1-(2-propan-2-yloxan-2-yl)methanamine
SMILESCNCC1(C(C)C)CCCCO1
InChIInChI=1S/C10H21NO/c1-9(2)10(8-11-3)6-4-5-7-12-10/h9,11H,4-8H2,1-3H3
InChIKeyLBEHPAYADMIZGX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

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

N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine (PubChem CID 130624449) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yloxan-2-yl)methanamine
PubChem CID130624449
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-1-(2-propan-2-yloxan-2-yl)methanamine
SMILESCNCC1(C(C)C)CCCCO1
InChIInChI=1S/C10H21NO/c1-9(2)10(8-11-3)6-4-5-7-12-10/h9,11H,4-8H2,1-3H3
InChIKeyLBEHPAYADMIZGX-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-2-propan-2-yloxolane
CID 156888373
(2-propan-2-yloxolan-2-yl)methanol
CID 130663266
1-(2-cyclopentyloxan-2-yl)-N-methylmethanamine
CID 130624071
N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
CID 103743906
(2-propan-2-yloxan-2-yl)silane
CID 123630971
N-methyl-1-(2-propyloxolan-2-yl)methanamine
CID 131230120
2,2-bis(2-methylpropyl)oxane
CID 57237158
N-methyl-2-propan-2-yloxolan-2-amine
CID 129253731
(2-butan-2-yloxolan-2-yl)methanamine
CID 126987670
2-(bromomethyl)-2-butan-2-yloxolane
CID 130692054
2-butan-2-yl-2-(chloromethyl)oxolane
CID 126987650
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine (CID 130624449) is N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine is CNCC1(C(C)C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine?
The InChIKey is LBEHPAYADMIZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)10(8-11-3)6-4-5-7-12-10/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine?
N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yloxan-2-yl)methanamine is sourced from PubChem (CID 130624449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).