N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine

C14H29NO — CID 71034599

IUPACN-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine
SMILESCOCC[C@H](NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-14(2,3)13(10-11-16-4)15-12-8-6-5-7-9-12/h12-13,15H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyOVMGSJLEBXGCMG-ZDUSSCGKSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds5

About N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine

N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine (PubChem CID 71034599) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine
PubChem CID71034599
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine
SMILESCOCC[C@H](NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-14(2,3)13(10-11-16-4)15-12-8-6-5-7-9-12/h12-13,15H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyOVMGSJLEBXGCMG-ZDUSSCGKSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine?
The IUPAC name of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine (CID 71034599) is N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine.
What is the SMILES notation for N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine?
The canonical SMILES for N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine is COCC[C@H](NC1CCCCC1)C(C)(C)C.
What is the InChIKey of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine?
The InChIKey is OVMGSJLEBXGCMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)13(10-11-16-4)15-12-8-6-5-7-9-12/h12-13,15H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine?
N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methoxy-4,4-dimethylpentan-3-yl]cyclohexanamine is sourced from PubChem (CID 71034599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).