N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine

C13H27NO — CID 29013880

IUPACN-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine
SMILESCOC(C)(C)C[C@H](C)NC1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(10-13(2,3)15-4)14-12-8-6-5-7-9-12/h11-12,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyAJASGZABWJJOBO-NSHDSACASA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds5

About N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine

N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine (PubChem CID 29013880) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine
PubChem CID29013880
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine
SMILESCOC(C)(C)C[C@H](C)NC1CCCCC1
InChIInChI=1S/C13H27NO/c1-11(10-13(2,3)15-4)14-12-8-6-5-7-9-12/h11-12,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyAJASGZABWJJOBO-NSHDSACASA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine?
The IUPAC name of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine (CID 29013880) is N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine.
What is the SMILES notation for N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine?
The canonical SMILES for N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine is COC(C)(C)C[C@H](C)NC1CCCCC1.
What is the InChIKey of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine?
The InChIKey is AJASGZABWJJOBO-NSHDSACASA-N. The full InChI is InChI=1S/C13H27NO/c1-11(10-13(2,3)15-4)14-12-8-6-5-7-9-12/h11-12,14H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine?
N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclohexanamine is sourced from PubChem (CID 29013880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).