N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine

C12H25NO — CID 106661533

IUPACN-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCOCC(C)NC1CC(C)(C)CC1C
InChIInChI=1S/C12H25NO/c1-9-6-12(3,4)7-11(9)13-10(2)8-14-5/h9-11,13H,6-8H2,1-5H3
InChIKeyTXXXLRDCUDBFIV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine

N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106661533) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106661533
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCOCC(C)NC1CC(C)(C)CC1C
InChIInChI=1S/C12H25NO/c1-9-6-12(3,4)7-11(9)13-10(2)8-14-5/h9-11,13H,6-8H2,1-5H3
InChIKeyTXXXLRDCUDBFIV-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine (CID 106661533) is N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine is COCC(C)NC1CC(C)(C)CC1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is TXXXLRDCUDBFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-6-12(3,4)7-11(9)13-10(2)8-14-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine?
N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106661533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).