N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine

C12H25NO — CID 115906089

IUPACN-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
SMILESCOCC(C)(C)NC1CCCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,10-14-3)13-11-8-6-4-5-7-9-11/h11,13H,4-10H2,1-3H3
InChIKeyMGHWKHOYPVQCMK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds4

About N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine

N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine (PubChem CID 115906089) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
PubChem CID115906089
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
SMILESCOCC(C)(C)NC1CCCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,10-14-3)13-11-8-6-4-5-7-9-11/h11,13H,4-10H2,1-3H3
InChIKeyMGHWKHOYPVQCMK-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine (CID 115906089) is N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine is COCC(C)(C)NC1CCCCCC1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine?
The InChIKey is MGHWKHOYPVQCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,10-14-3)13-11-8-6-4-5-7-9-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine?
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine is sourced from PubChem (CID 115906089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).