(3R)-1-methoxy-4,4-dimethylpentan-3-amine

C8H19NO — CID 94424663

IUPAC(3R)-1-methoxy-4,4-dimethylpentan-3-amine
SMILESCOCC[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3/t7-/m1/s1
InChIKeyHNMOBVLDWCTSHU-SSDOTTSWSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds3

About (3R)-1-methoxy-4,4-dimethylpentan-3-amine

(3R)-1-methoxy-4,4-dimethylpentan-3-amine (PubChem CID 94424663) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3R)-1-methoxy-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name(3R)-1-methoxy-4,4-dimethylpentan-3-amine
PubChem CID94424663
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3R)-1-methoxy-4,4-dimethylpentan-3-amine
SMILESCOCC[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3/t7-/m1/s1
InChIKeyHNMOBVLDWCTSHU-SSDOTTSWSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
1-methoxy-4,4-dimethylhex-5-yn-3-amine
CID 87768256
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4,4-dimethylpentane-1,3-diamine
CID 62624688
1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
CID 62624086
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
1,3-dimethoxy-3-methylbutan-2-amine
CID 79569539
4,4-dimethyl-1-methylsulfanylpentan-3-amine
CID 58482801
(5-amino-6,6-dimethylheptyl) carbamate
CID 90354385
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methoxy-4,4-dimethylpentan-3-amine?
The IUPAC name of (3R)-1-methoxy-4,4-dimethylpentan-3-amine (CID 94424663) is (3R)-1-methoxy-4,4-dimethylpentan-3-amine.
What is the SMILES notation for (3R)-1-methoxy-4,4-dimethylpentan-3-amine?
The canonical SMILES for (3R)-1-methoxy-4,4-dimethylpentan-3-amine is COCC[C@@H](N)C(C)(C)C.
What is the InChIKey of (3R)-1-methoxy-4,4-dimethylpentan-3-amine?
The InChIKey is HNMOBVLDWCTSHU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-1-methoxy-4,4-dimethylpentan-3-amine?
(3R)-1-methoxy-4,4-dimethylpentan-3-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methoxy-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 94424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).