(3R)-1-methoxy-5,5-dimethylhexan-3-amine

C9H21NO — CID 59199577

IUPAC(3R)-1-methoxy-5,5-dimethylhexan-3-amine
SMILESCOCC[C@H](N)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)7-8(10)5-6-11-4/h8H,5-7,10H2,1-4H3/t8-/m0/s1
InChIKeyBHBBOSIGVNMTRA-QMMMGPOBSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds4

About (3R)-1-methoxy-5,5-dimethylhexan-3-amine

(3R)-1-methoxy-5,5-dimethylhexan-3-amine (PubChem CID 59199577) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3R)-1-methoxy-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name(3R)-1-methoxy-5,5-dimethylhexan-3-amine
PubChem CID59199577
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3R)-1-methoxy-5,5-dimethylhexan-3-amine
SMILESCOCC[C@H](N)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)7-8(10)5-6-11-4/h8H,5-7,10H2,1-4H3/t8-/m0/s1
InChIKeyBHBBOSIGVNMTRA-QMMMGPOBSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methoxy-5,5-dimethylhexan-3-amine?
The IUPAC name of (3R)-1-methoxy-5,5-dimethylhexan-3-amine (CID 59199577) is (3R)-1-methoxy-5,5-dimethylhexan-3-amine.
What is the SMILES notation for (3R)-1-methoxy-5,5-dimethylhexan-3-amine?
The canonical SMILES for (3R)-1-methoxy-5,5-dimethylhexan-3-amine is COCC[C@H](N)CC(C)(C)C.
What is the InChIKey of (3R)-1-methoxy-5,5-dimethylhexan-3-amine?
The InChIKey is BHBBOSIGVNMTRA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)7-8(10)5-6-11-4/h8H,5-7,10H2,1-4H3/t8-/m0/s1.
What are the key properties of (3R)-1-methoxy-5,5-dimethylhexan-3-amine?
(3R)-1-methoxy-5,5-dimethylhexan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methoxy-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 59199577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).