(4R)-2-methoxy-2-methylheptan-4-amine

C9H21NO — CID 59383057

IUPAC(4R)-2-methoxy-2-methylheptan-4-amine
SMILESCCC[C@@H](N)CC(C)(C)OC
InChIInChI=1S/C9H21NO/c1-5-6-8(10)7-9(2,3)11-4/h8H,5-7,10H2,1-4H3/t8-/m1/s1
InChIKeyYGCBBAQGGNWJMW-MRVPVSSYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds5

About (4R)-2-methoxy-2-methylheptan-4-amine

(4R)-2-methoxy-2-methylheptan-4-amine (PubChem CID 59383057) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (4R)-2-methoxy-2-methylheptan-4-amine.

Molecular Properties

Compound Name(4R)-2-methoxy-2-methylheptan-4-amine
PubChem CID59383057
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(4R)-2-methoxy-2-methylheptan-4-amine
SMILESCCC[C@@H](N)CC(C)(C)OC
InChIInChI=1S/C9H21NO/c1-5-6-8(10)7-9(2,3)11-4/h8H,5-7,10H2,1-4H3/t8-/m1/s1
InChIKeyYGCBBAQGGNWJMW-MRVPVSSYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-4-methylpentan-2-amine
CID 22273175
2,2,6,6-Tetramethyloxan-4-amine
CID 69672274
1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103032115
6-Methoxy-6-methylheptan-2-amine
CID 86043672
2-Methoxy-6-methylheptan-4-amine
CID 104170586
6-Methoxy-6-methyloctane-1,5-diamine
CID 138659080
4-Methyl-4-(11-methyldodecoxy)pentan-2-amine
CID 140454228
4-Methyl-4-(8-methylnonoxy)pentan-2-amine
CID 140454229
7-Butyl-7-methoxyundecan-5-amine
CID 140593004
Butane;3-(methoxymethyl)heptan-4-amine
CID 144526496

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methoxy-2-methylheptan-4-amine?
The IUPAC name of (4R)-2-methoxy-2-methylheptan-4-amine (CID 59383057) is (4R)-2-methoxy-2-methylheptan-4-amine.
What is the SMILES notation for (4R)-2-methoxy-2-methylheptan-4-amine?
The canonical SMILES for (4R)-2-methoxy-2-methylheptan-4-amine is CCC[C@@H](N)CC(C)(C)OC.
What is the InChIKey of (4R)-2-methoxy-2-methylheptan-4-amine?
The InChIKey is YGCBBAQGGNWJMW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-8(10)7-9(2,3)11-4/h8H,5-7,10H2,1-4H3/t8-/m1/s1.
What are the key properties of (4R)-2-methoxy-2-methylheptan-4-amine?
(4R)-2-methoxy-2-methylheptan-4-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methoxy-2-methylheptan-4-amine is sourced from PubChem (CID 59383057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).